%chk=000081299.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081299

0 1
 O    2.692900       2.078700       1.094300    
 O    2.219500     -0.1042000       1.585100    
 N   0.2267000       2.375500     -0.2347000    
 N    4.090700      0.5040000      0.3167000    
 N   -6.836500      -3.236700      0.6113000    
 N   -6.148600       1.027400     -0.5200000    
 C   0.5949000       3.228000      0.8784000    
 C  -0.7947000       1.414000     -9.0400003E-02
 C   0.9125000       2.533800      -1.501800    
 C   -1.151300      0.6074000      -1.171000    
 C    1.535200       2.485700       1.812800    
 C   -2.161900     -0.3435000      -1.027900    
 C   -1.448400       1.269700       1.133200    
 C   -2.815600     -0.4877000      0.1956000    
 C   0.1812000       3.540200      -2.369300    
 C   -2.458900      0.3189000       1.276300    
 C   -2.518500      -1.189800      -2.207500    
 C   -3.875100      -1.471500      0.3773000    
 C    2.939700      0.7278000       1.047100    
 C   -5.202400      -1.273200      0.1937000    
 C    4.706400     -0.7331000      1.9900000E-02
 C    5.868500     -0.7495000     -0.7351000    
 C    4.135900      -1.905800      0.4888000    
 C    6.475900      -1.970300      -1.028600    
 C    4.743500      -3.126600      0.1952000    
 C    5.913500      -3.159000     -0.5635000    
 C   -6.102800      -2.356900      0.4246000    
 C   -5.722100     -3.5000001E-03 -0.2005000    
 H  -0.2718000       3.640500       1.406600    
 H    1.127200       4.107400      0.4911000    
 H    1.918900       2.934200      -1.321300    
 H    1.102900       1.592600      -2.027000    
 H  -0.6867000      0.6956000      -2.146400    
 H    1.034900       1.663000       2.331300    
 H    1.871600       3.176700       2.594100    
 H   -1.224300       1.867600       2.009300    
 H  -0.8287000       3.201200      -2.620500    
 H   9.0599999E-02   4.508500      -1.865500    
 H   0.7256000       3.697900      -3.305800    
 H   -2.958900      0.2197000       2.237100    
 H   -1.839600      -1.023700      -3.051100    
 H   -2.454700      -2.253700      -1.955500    
 H   -3.531100     -0.9580000      -2.553300    
 H   -3.515900      -2.452300      0.6870000    
 H    4.553900       1.330000     -5.4699998E-02
 H    6.314800      0.1704000      -1.102600    
 H    3.233500      -1.960800       1.080100    
 H    7.386900      -1.995500      -1.619500    
 H    4.306400      -4.053000      0.5566000    
 H    6.386400      -4.109500     -0.7922000    


%chk=000081299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081299

0 1
O 2.756717 2.026724 0.986432
O 2.384592 -0.244098 1.542220
N 0.129720 2.176604 -0.568764
N 4.359967 0.521800 0.474448
N -7.580930 -2.795399 0.639502
N -5.444378 -0.010653 3.365132
C 0.589612 3.081267 0.500423
C -1.024337 1.411003 -0.425016
C 0.939409 2.149316 -1.811228
C -1.522610 0.599752 -1.498600
C 1.449489 2.396246 1.578803
C -2.680155 -0.183753 -1.381172
C -1.769390 1.396435 0.802333
C -3.428058 -0.183436 -0.142583
C 0.417219 3.109631 -2.904092
C -2.926458 0.628964 0.925444
C -3.117380 -1.011391 -2.580552
C -4.622225 -0.990453 -0.041615
C 3.110341 0.650046 1.047999
C -5.536664 -1.169234 1.001885
C 5.121094 -0.670531 0.298746
C 6.391336 -0.544027 -0.324267
C 4.659679 -1.946666 0.714949
C 7.194630 -1.683705 -0.530598
C 5.477340 -3.077119 0.499702
C 6.742422 -2.959466 -0.120080
C -6.653352 -2.056013 0.808127
C -5.473034 -0.532016 2.286197
H -0.272620 3.568770 0.992703
H 1.184009 3.889331 0.037481
H 1.972434 2.421392 -1.534146
H 0.984810 1.113330 -2.192617
H -0.994559 0.584421 -2.455716
H 0.971474 1.484820 1.978030
H 1.664259 3.101969 2.401498
H -1.436126 1.972186 1.669319
H -0.615927 2.859289 -3.200504
H 0.422096 4.155026 -2.546028
H 1.059399 3.053131 -3.802188
H -3.453884 0.650101 1.881952
H -2.421082 -0.872934 -3.423901
H -3.141502 -2.092218 -2.346716
H -4.126530 -0.728074 -2.933629
H -4.872657 -1.572958 -0.936380
H 4.783406 1.397909 0.160589
H 6.749499 0.443003 -0.644442
H 3.684082 -2.041122 1.196107
H 8.172958 -1.573670 -1.011060
H 5.117576 -4.060073 0.823444
H 7.366388 -3.844860 -0.279772


