%chk=000077607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077607

0 1
 O    6.687300      -1.581700      -1.269200    
 O   -3.605900       3.723400     -8.9100003E-02
 O   -1.681400      -1.975100     -0.2940000    
 O   -5.356300       1.859400      0.2901000    
 N    5.760200     -0.1205000      0.3751000    
 N   0.2391000     -0.2546000     -0.6998000    
 C    6.312700      0.6138000       1.497000    
 C    7.788500      0.7211000       1.174300    
 C    8.072400     -0.5505000      0.4002000    
 C    6.767700     -0.8243000     -0.3130000    
 C    4.360500     -0.1546000      0.1027000    
 C   -2.121800      0.3536000     -0.2742000    
 C   -3.084700       1.353500     -0.1214000    
 C  -0.7903000      0.7002000     -0.5332000    
 C    3.871700     -0.9448000     -0.9374000    
 C    3.480800      0.6024000      0.8765000    
 C    1.618700     -0.2215000     -0.4309000    
 C   -3.905400      -1.422500      0.1086000    
 C   -4.868400     -0.4227000      0.2610000    
 C   -2.496900      -1.070900     -0.1645000    
 C   -4.493200       1.001900      0.1516000    
 C    2.502900     -0.9781000      -1.204000    
 C    2.111900      0.5690000      0.6101000    
 C   -2.716000       2.699900     -0.2270000    
 C  -0.4272000       2.043300     -0.6379000    
 C   -1.387900       3.040900     -0.4851000    
 C   -4.274000      -2.769000      0.2150000    
 C   -6.199900     -0.7693000      0.5200000    
 C   -5.602000      -3.109900      0.4731000    
 C   -6.562900      -2.112300      0.6254000    
 H    6.141000      3.7099998E-02   2.412400    
 H    5.885300       1.615900       1.589900    
 H    8.412200      0.8290000       2.065900    
 H    7.967000       1.590700      0.5292000    
 H    8.289700      -1.389400       1.068900    
 H    8.889400     -0.4193000     -0.3134000    
 H    4.495300      -1.555900      -1.575300    
 H    3.809500       1.218100       1.706900    
 H  -7.1099997E-02  -1.116800      -1.137800    
 H    2.133700      -1.597300      -2.018000    
 H    1.448500       1.146700       1.248200    
 H   0.5893000       2.349600     -0.8689000    
 H   -1.095800       4.084000     -0.5753000    
 H   -3.545700      -3.567400      0.1009000    
 H   -6.969000     -1.1600000E-02  0.6430000    
 H   -5.887300      -4.154700      0.5557000    
 H   -7.596100      -2.380600      0.8263000    
 H   -4.496000       3.383500      8.6800002E-02


%chk=000077607-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077607

0 1
O 6.538087 -2.076244 -0.888069
O -3.730062 3.697304 0.081585
O -1.680397 -2.073154 -0.241805
O -5.484588 1.939879 0.167477
N 5.881745 -0.106804 0.290025
N 0.202718 -0.308748 -0.208761
C 6.545764 0.956621 1.089973
C 8.045302 0.834411 0.714213
C 8.202888 -0.640405 0.283700
C 6.807375 -1.055011 -0.198223
C 4.463905 -0.160186 0.164265
C -2.156151 0.295094 -0.085051
C -3.167226 1.319635 -0.003294
C -0.765666 0.677035 -0.140201
C 3.819428 -1.113474 -0.678099
C 3.653398 0.749941 0.899607
C 1.610082 -0.195820 -0.080295
C -3.996585 -1.447977 -0.018488
C -4.990613 -0.426386 0.079071
C -2.552435 -1.112722 -0.118420
C -4.588196 0.989709 0.082545
C 2.420586 -1.121644 -0.793317
C 2.251118 0.729696 0.785543
C -2.798749 2.700942 -0.002311
C -0.437071 2.081315 -0.185166
C -1.419929 3.061312 -0.119011
C -4.397108 -2.808461 -0.027774
C -6.362999 -0.777096 0.165948
C -5.760257 -3.148082 0.061465
C -6.746883 -2.130358 0.158227
H 6.375483 0.782368 2.171483
H 6.133689 1.947474 0.830771
H 8.699982 1.116312 1.554513
H 8.272532 1.502091 -0.135011
H 8.484873 -1.295383 1.130325
H 8.940547 -0.802524 -0.517850
H 4.425428 -1.834814 -1.228466
H 4.106066 1.462318 1.595269
H -0.227134 -1.266189 -0.310210
H 1.940510 -1.850747 -1.455542
H 1.657579 1.400357 1.413986
H 0.605941 2.378196 -0.319131
H -1.168095 4.124372 -0.172247
H -3.618482 -3.573049 -0.106148
H -7.099364 0.029110 0.237222
H -6.062307 -4.200919 0.055777
H -7.805996 -2.400540 0.226010
H -4.668632 3.212948 0.139293


