%chk=000063632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063632

0 1
 O    1.938200     -0.1759000      -1.673200    
 O    2.754800       2.388300      -2.416600    
 O   -5.075700      -1.126300     -0.8737000    
 O    8.247900      0.9343000       1.532500    
 O    8.451000     -0.5918000     -3.2400001E-02
 N  -0.1258000      0.6286000      0.2114000    
 N   -3.093100     -0.5119000      0.2405000    
 N   -2.876500       1.712800       1.056000    
 N    7.759700      0.2314000      0.6150000    
 C    2.228400      0.7903000     -0.6477000    
 C    1.287400      0.4672000      0.5431000    
 C    3.717000      0.6406000     -0.3084000    
 C    1.980200       2.192400      -1.241900    
 C  -0.9712000      0.3052000       1.338600    
 C   -2.396600      0.5211000      0.8724000    
 C    4.463700     -0.2634000      -1.024500    
 C    4.240400       1.416200      0.6976000    
 C   -4.371200     -0.2890000     -0.3146000    
 C   -2.571400      -1.848800      0.1622000    
 C   -4.913000       1.074400     -0.1350000    
 C   -4.151500       2.010400      0.5648000    
 C    5.817100     -0.4003000     -0.7157000    
 C    5.593800       1.279500       1.006400    
 C    6.382200      0.3712000      0.2999000    
 C   -1.814600      -2.226400     -0.9400000    
 C   -2.829800      -2.747600       1.189600    
 C   -6.176700       1.411200     -0.6347000    
 C   -4.670000       3.295800      0.7603000    
 C   -1.562400      -4.433100      1.0400000E-02
 C   -1.308100      -3.523900      -1.016200    
 C   -2.323200      -4.045000       1.113300    
 C   -6.681200       2.695300     -0.4334000    
 C   -5.929100       3.637100      0.2647000    
 C   -1.020500      -5.820300     -7.0699997E-02
 H    1.465900     -0.5691000      0.8605000    
 H    1.528100       1.118300       1.391800    
 H   0.9365000       2.303100      -1.553500    
 H    2.200000       2.998100     -0.5333000    
 H  -0.3545000      3.2400001E-02 -0.5811000    
 H  -0.8147000     -0.7190000       1.686200    
 H  -0.7732000      0.9807000       2.179500    
 H    4.072000     -0.8819000      -1.824200    
 H    3.641100       2.129500       1.253500    
 H    1.058600      2.1900000E-02  -2.036400    
 H    6.401400      -1.117100      -1.287300    
 H    6.000000       1.897700       1.803100    
 H    3.681700       2.503100      -2.147600    
 H   -1.617100      -1.528500      -1.749000    
 H   -3.420800      -2.453400       2.052700    
 H   -6.781100      0.6904000      -1.178300    
 H   -4.091800       4.042800       1.299200    
 H  -0.7164000      -3.813900      -1.880300    
 H   -2.526400      -4.743700       1.920600    
 H   -7.661100       2.960600     -0.8194000    
 H   -6.321300       4.637600      0.4219000    
 H  -2.9100001E-02  -5.863700      0.3911000    
 H   -1.677600      -6.531700      0.4410000    
 H  -0.9379000      -6.152000      -1.111300    


%chk=000063632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063632

0 1
O 2.010025 -0.959769 -1.233056
O 2.368256 1.106752 -2.930452
O -5.089219 -0.979964 -0.950021
O 8.242347 1.993502 1.452852
O 8.612671 -0.172910 0.842121
N -0.058675 0.170996 0.308212
N -3.152786 -0.366005 0.243028
N -2.889646 1.815107 1.235383
N 7.846264 0.856486 0.984756
C 2.246361 0.340684 -0.582360
C 1.352794 0.348178 0.686248
C 3.725775 0.483722 -0.181049
C 1.814885 1.437166 -1.600546
C -1.014605 0.271229 1.434351
C -2.421249 0.607538 0.959224
C 4.610816 -0.616395 -0.308745
C 4.218259 1.706501 0.352066
C -4.468643 -0.098894 -0.291282
C -2.612869 -1.701985 0.014416
C -4.980490 1.248340 0.020976
C -4.178170 2.155864 0.783069
C 5.963333 -0.504388 0.069674
C 5.565583 1.838145 0.736844
C 6.422882 0.726011 0.585660
C -2.097544 -2.042789 -1.255895
C -2.639316 -2.658643 1.050408
C -6.270937 1.636470 -0.425221
C -4.690666 3.446641 1.089708
C -1.581880 -4.311786 -0.441485
C -1.585945 -3.337558 -1.475048
C -2.120724 -3.952027 0.819826
C -6.764386 2.914476 -0.115797
C -5.969745 3.819299 0.644787
C -1.010998 -5.696870 -0.686631
H 1.742075 -0.446043 1.368472
H 1.469221 1.315628 1.212556
H 0.721704 1.399322 -1.712701
H 2.119655 2.450182 -1.278858
H -0.171084 -0.693647 -0.239289
H -1.027906 -0.638992 2.077686
H -0.719922 1.123910 2.067423
H 4.213093 -1.556274 -0.701515
H 3.548887 2.565400 0.475804
H 2.146226 -0.798015 -2.210615
H 6.659919 -1.342011 -0.022101
H 5.961927 2.770775 1.146788
H 3.322579 1.371517 -2.969816
H -2.116913 -1.304758 -2.063905
H -3.076188 -2.398774 2.020839
H -6.856269 0.915856 -1.005686
H -4.061279 4.125362 1.673070
H -1.185838 -3.597205 -2.462158
H -2.143393 -4.692486 1.627797
H -7.759693 3.217143 -0.457698
H -6.360073 4.814769 0.883681
H 0.089934 -5.659486 -0.793523
H -1.243062 -6.385042 0.143823
H -1.412859 -6.138455 -1.616695


