%chk=000097445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097445

0 1
 O    2.807300     -0.2971000      -1.047300    
 O    2.594200      0.5352000       1.860200    
 O    5.366900       1.335500     -0.2930000    
 O    3.436000      -2.984500     -0.6716000    
 N   0.9985000       1.108600     -0.4004000    
 N   -1.032900       2.040900     -0.4055000    
 N   0.4005000      -1.170800      0.1934000    
 N   -2.008800      -1.410000      0.5000000    
 N   -3.505700      0.4243000      0.2271000    
 N   -5.833400     -0.1369000     -0.1519000    
 C    3.237100       1.178600      0.7674000    
 C    2.446900      0.9933000     -0.5247000    
 C    4.524400      0.4492000      0.4405000    
 C    4.071500     -0.6902000     -0.4749000    
 C    3.861900      -2.006400      0.2607000    
 C   0.1166000      0.1122000     -7.6300003E-02
 C   0.2546000       2.247900     -0.5875000    
 C   -1.133500      0.7102000     -8.5500002E-02
 C   -2.221700     -0.1022000      0.2169000    
 C  -0.7298000      -1.856400      0.4711000    
 C   -4.475400     -0.3903000     -8.3400004E-02
 C   -6.775700      -1.184600     -0.5188000    
 C   -6.399400       1.093200      0.3837000    
 H    3.365800       2.238200       1.010400    
 H    2.761500       1.729300      -1.275500    
 H    5.074600      0.1011000       1.320200    
 H    4.761000     -0.8428000      -1.313200    
 H    3.088000      -1.922900       1.028800    
 H    4.793300      -2.345800      0.7245000    
 H    3.171000      0.6343000       2.636700    
 H    6.169100      0.8410000     -0.5331000    
 H   0.7078000       3.193400     -0.8528000    
 H    3.312600      -3.814500     -0.1804000    
 H  -0.5963000      -2.907700      0.7025000    
 H   -4.264300      -1.435800     -0.3755000    
 H   -7.694700     -0.7648000     -0.9408000    
 H   -7.037300      -1.779200      0.3621000    
 H   -6.347500      -1.851700      -1.274600    
 H   -5.759900       1.951900      0.1541000    
 H   -6.502900       1.016000       1.470600    
 H   -7.385900       1.300800     -4.3600000E-02


%chk=000097445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097445

0 1
O 3.143943 -0.084939 -1.203010
O 2.415717 0.682177 1.870780
O 5.539316 1.368304 0.047326
O 2.823684 -2.789548 -0.461539
N 1.130768 1.041174 -0.510919
N -0.990574 1.936446 -0.401775
N 0.516716 -1.381934 -0.329894
N -1.893970 -1.718368 -0.104007
N -3.456148 0.133728 -0.083710
N -5.763479 -0.283143 0.050834
C 3.294953 1.228607 0.845413
C 2.601563 1.098616 -0.554370
C 4.596137 0.405335 0.643517
C 4.171300 -0.719240 -0.317237
C 3.590846 -1.951333 0.429303
C 0.259425 -0.044438 -0.364760
C 0.317556 2.191528 -0.528101
C -1.055292 0.533192 -0.299404
C -2.160261 -0.358694 -0.162397
C -0.609577 -2.147151 -0.192753
C -4.471719 -0.718893 -0.053819
C -6.887968 -1.227396 0.074503
C -6.076226 1.153906 0.140061
H 3.566421 2.281435 1.049049
H 2.860322 1.984124 -1.165513
H 4.993877 0.014625 1.601397
H 4.973758 -1.039799 -1.007703
H 2.977284 -1.603283 1.286734
H 4.433950 -2.555460 0.817440
H 2.660496 1.052291 2.754152
H 6.215628 0.883893 -0.488556
H 0.746431 3.186453 -0.638417
H 1.939471 -2.285587 -0.584255
H -0.445733 -3.228575 -0.153404
H -4.341093 -1.812255 -0.113122
H -7.572877 -1.041264 -0.774981
H -7.464637 -1.124407 1.013709
H -6.513756 -2.261856 0.004302
H -5.128228 1.709048 0.072533
H -6.575114 1.381759 1.101147
H -6.746911 1.451423 -0.687952


