%chk=000100531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100531

0 1
 O   0.1089000       1.762600     -0.8457000    
 O    2.070200      0.6848000      -1.100600    
 O   0.9856000      0.6358000      0.9640000    
 O   -4.835800      -1.940400     -0.2602000    
 O   -2.968200      -3.088700     -0.3726000    
 N   -2.324800      6.0500000E-02 -0.4015000    
 N   -2.659900     -0.6875000       1.662600    
 N   -3.583900      -2.018200     -9.8800004E-02
 C   -1.013900       2.163700     -5.4000001E-02
 C   -1.748500      0.9168000      0.4455000    
 C  -0.4505000       2.969700       1.119600    
 C   -1.896400       3.046200     -0.9448000    
 C   -1.941300      0.4812000       1.695200    
 C   -2.875000     -0.9128000      0.3855000    
 C   -2.370900      0.1262000      -1.844900    
 C    1.037100      0.9970000     -0.2050000    
 C    3.061900     -8.1100002E-02 -0.5693000    
 C    2.978400      -1.472200     -0.6318000    
 C    4.161500      0.5248000      3.8300000E-02
 C    3.994300      -2.257100     -8.6300001E-02
 C    5.177500     -0.2601000      0.5836000    
 C    5.093800      -1.651100      0.5213000    
 H   6.1400000E-02   2.406700       1.903100    
 H   -1.260900       3.506500       1.629500    
 H   0.2634000       3.723000      0.7633000    
 H   -1.428500       4.029700      -1.079500    
 H   -2.885800       3.208000     -0.5040000    
 H   -2.015900       2.659200      -1.959100    
 H   -1.629000      0.9061000       2.637600    
 H   -2.549500     -0.8741000      -2.248600    
 H   -3.198500      0.7774000      -2.134800    
 H   -1.418300      0.4717000      -2.245700    
 H    2.124400      -1.950600      -1.103700    
 H    4.233000       1.607800      9.0099998E-02
 H    3.929000      -3.340200     -0.1347000    
 H    6.033700      0.2117000       1.056700    
 H    5.884800      -2.262300      0.9459000    


%chk=000100531-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100531

0 1
O 0.189220 1.823992 -0.367595
O 2.101477 0.749325 -0.528729
O 0.741146 0.316845 1.362516
O -4.600578 -2.758524 -0.090842
O -3.709020 -1.965155 -2.044784
N -2.372034 0.084096 -0.607486
N -3.552759 -0.537376 1.257041
N -3.900298 -1.911683 -0.755187
C -1.152379 2.206033 0.270327
C -2.039331 0.985462 0.417124
C -0.887038 2.880152 1.630225
C -1.714004 3.225844 -0.742241
C -2.783474 0.573435 1.542964
C -3.286766 -0.812425 -0.035954
C -1.803858 0.050755 -1.977168
C 0.987658 0.895328 0.284903
C 3.203909 -0.121749 -0.223551
C 3.222104 -1.089766 0.804755
C 4.296967 0.060457 -1.097432
C 4.383789 -1.885689 0.945032
C 5.444298 -0.743896 -0.938269
C 5.491916 -1.720850 0.084658
H -0.476898 2.169667 2.363400
H -1.823751 3.309466 2.026130
H -0.168801 3.704971 1.486187
H -1.008793 4.067146 -0.848370
H -2.679515 3.613882 -0.375386
H -1.872773 2.780395 -1.736742
H -2.792486 1.017450 2.534523
H -1.484166 -0.972864 -2.220017
H -2.566190 0.345206 -2.715531
H -0.939786 0.726919 -2.018143
H 2.371806 -1.214042 1.476182
H 4.231678 0.821683 -1.880191
H 4.413294 -2.640467 1.738280
H 6.296488 -0.607254 -1.612219
H 6.382352 -2.346068 0.207789


