%chk=000158349.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158349

0 1
 O    1.437400      -2.029200     -7.0000002E-03
 O   -2.560700     -1.6100001E-02  -1.630400    
 O  -0.5295000      -3.187200     -0.1143000    
 O   -2.846700      0.6547000       2.064200    
 O   -6.342100      0.9040000     -0.9215000    
 N    5.605900      0.3915000      0.2272000    
 N   -4.675000      0.3342000      0.6298000    
 N   -2.778900      -1.776900     -0.1183000    
 C    4.215100      0.3752000     -7.6000001E-03
 C    6.455100       1.342800     -0.4614000    
 C    6.201600     -0.5337000       1.170600    
 C    1.452700      0.3565000     -0.4755000    
 C    2.129800     -0.8086000     -0.1297000    
 C    3.503000     -0.8168000      0.1064000    
 C    3.552600       1.554700     -0.3541000    
 C   -4.936800      -1.067100      0.8211000    
 C    2.174400       1.547400     -0.5879000    
 C   -4.213800      -1.930000     -0.1993000    
 C   1.8100001E-02  0.2941000     -0.7079000    
 C  -0.6344000     -0.8683000     -0.5899000    
 C    6.373300       1.126700      -1.960200    
 C    6.027500     -1.9800000E-02   2.586800    
 C   -2.079500     -0.8298000     -0.8443000    
 C   6.5099999E-02  -2.120200     -0.2230000    
 C   -3.675000       1.040300       1.256600    
 C   -5.388400       1.160200     -0.2062000    
 C   -3.769000       2.425400      0.7702000    
 C   -4.781900       2.496200     -9.4499998E-02
 H    6.203300       2.375700     -0.1976000    
 H    7.501200       1.216600     -0.1561000    
 H    7.277500     -0.6255000      0.9740000    
 H    5.827500      -1.557200       1.084400    
 H    3.970100      -1.764800      0.3462000    
 H    4.067100       2.507300     -0.4343000    
 H   -4.621000      -1.345200       1.833300    
 H   -6.015900      -1.236100      0.7362000    
 H   -4.538200      -1.677400      -1.215100    
 H   -4.437600      -2.987000     -2.3100000E-02
 H    1.676900       2.477200     -0.8522000    
 H  -0.4831000       1.221500     -0.9675000    
 H    7.098600       1.770800      -2.468400    
 H    5.388800       1.362300      -2.373600    
 H    6.607200      8.8900000E-02  -2.222100    
 H    6.527000     -0.6866000       3.296800    
 H    4.970100      3.7000000E-02   2.865100    
 H    6.458300      0.9807000       2.700700    
 H   -2.292100      -2.381600      0.5359000    
 H   -3.116500       3.225300       1.076700    
 H   -5.119100       3.366000     -0.6325000    


%chk=000158349-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158349

0 1
O 1.374924 -1.659524 0.684698
O -2.669357 0.194419 -1.358505
O -0.603627 -2.746859 1.048009
O -3.753010 0.624001 2.631903
O -6.352251 0.682776 -1.278459
N 5.707659 0.420113 0.105197
N -5.095911 0.268295 0.696520
N -2.899287 -1.744689 -0.074381
C 4.339571 0.403407 -0.138227
C 6.573256 1.531945 -0.349250
C 6.380244 -0.676059 0.839118
C 1.498546 0.385913 -0.666114
C 2.132431 -0.621600 0.127834
C 3.504422 -0.627135 0.398315
C 3.712973 1.426813 -0.946096
C -5.226149 -1.190863 0.736545
C 2.341297 1.411120 -1.191932
C -4.335043 -1.888247 -0.325663
C 0.089711 0.298064 -0.875357
C -0.679608 -0.728286 -0.331866
C 7.105478 1.348842 -1.789229
C 6.366225 -0.487582 2.373601
C -2.158884 -0.720169 -0.625232
C -0.053252 -1.763491 0.487687
C -4.339456 1.050914 1.605755
C -5.620888 1.084054 -0.340154
C -4.413339 2.468527 1.094937
C -5.156125 2.486715 -0.044430
H 6.027095 2.487898 -0.256868
H 7.424514 1.597054 0.353453
H 7.425543 -0.723330 0.481295
H 5.917134 -1.640694 0.563800
H 3.892787 -1.424461 1.034323
H 4.316535 2.222060 -1.389494
H -4.949041 -1.516776 1.754434
H -6.281779 -1.458025 0.544813
H -4.563043 -1.464314 -1.318583
H -4.588112 -2.964444 -0.337250
H 1.892343 2.196364 -1.810834
H -0.440552 1.043813 -1.480033
H 7.766354 2.191016 -2.065088
H 6.279073 1.302317 -2.519343
H 7.687598 0.413962 -1.877791
H 6.891165 -1.325435 2.867701
H 5.334720 -0.447995 2.763557
H 6.873682 0.451269 2.660024
H -2.394262 -2.419865 0.520491
H -3.917123 3.289857 1.612053
H -5.415180 3.326411 -0.689190


