%chk=000114003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114003

0 1
 O    3.427500       1.758600      0.3086000    
 N   0.4636000      -2.052200     -0.1308000    
 N   -1.733800     -0.2942000     -2.5300000E-02
 N   -6.619100     -0.1829000     -0.1048000    
 C    3.182200      -1.075200      5.5500001E-02
 C    1.984800     -0.1576000      0.1046000    
 C    2.798800      -2.507600      0.4268000    
 C   0.6824000     -0.6846000     -1.1300000E-02
 C    1.577000      -2.950200     -0.3696000    
 C  -0.4075000      0.1961000      4.5499999E-02
 C    2.174900       1.226100      0.2259000    
 C  -0.2108000       1.571500      0.1800000    
 C   -2.875900      0.5595000      3.5200000E-02
 C    1.079500       2.086300      0.2655000    
 C   -4.168200     -0.2468000     -7.5900003E-02
 C   -5.415800      0.6365000     -1.2400000E-02
 C    4.060300       2.116800     -0.9177000    
 H    3.596400      -1.057800     -0.9595000    
 H    3.961100     -0.7350000      0.7476000    
 H    3.641300      -3.181400      0.2360000    
 H    2.575500      -2.561900       1.500500    
 H    1.808100      -2.968500      -1.441300    
 H    1.289700      -3.966400     -7.9800002E-02
 H  -0.4670000      -2.404400     -0.3069000    
 H   -1.875600      -1.293700     -8.3200000E-02
 H   -1.031300       2.281100      0.2231000    
 H   -2.892200       1.110200      0.9836000    
 H   -2.853900       1.287500     -0.7851000    
 H    1.225100       3.158600      0.3657000    
 H   -4.201600     -0.9901000      0.7320000    
 H   -4.162400     -0.8122000      -1.017400    
 H   -5.406000       1.363800     -0.8315000    
 H   -5.434100       1.193800      0.9302000    
 H    4.129900       1.257400      -1.591300    
 H    5.071900       2.465200     -0.6916000    
 H    3.512200       2.929600      -1.404800    
 H   -6.625300     -0.6849000     -0.9918000    
 H   -7.439400      0.4219000     -0.1130000    


%chk=000114003-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114003

0 1
O 3.556394 1.755175 0.355832
N 0.410179 -2.000460 -0.189705
N -1.724155 -0.290429 0.003783
N -6.677268 -0.281682 -0.166836
C 3.191155 -1.115805 0.036806
C 2.022873 -0.138213 0.055508
C 2.734051 -2.535480 0.442700
C 0.691472 -0.622962 -0.040911
C 1.510926 -2.959837 -0.394959
C -0.422851 0.279411 0.053045
C 2.224165 1.259795 0.197277
C -0.179361 1.667369 0.164884
C -2.918840 0.566569 0.031835
C 1.144748 2.162186 0.229811
C -4.198968 -0.281759 -0.086320
C -5.480316 0.575958 -0.052487
C 4.206472 2.124888 -0.910628
H 3.644050 -1.158615 -0.976601
H 3.983275 -0.744662 0.711520
H 3.551507 -3.264854 0.294170
H 2.458878 -2.550624 1.514093
H 1.811738 -3.014923 -1.467009
H 1.164634 -3.966569 -0.093848
H -0.466211 -2.201248 -0.682671
H -1.819177 -1.153148 0.554387
H -1.018391 2.366474 0.232769
H -2.968999 1.183895 0.961487
H -2.858938 1.274991 -0.817833
H 1.341393 3.232596 0.346359
H -4.256507 -1.015675 0.742006
H -4.159041 -0.860556 -1.031453
H -5.406145 1.361275 -0.845854
H -5.533704 1.107302 0.917446
H 4.306562 1.250111 -1.585128
H 5.206082 2.502317 -0.641674
H 3.634870 2.917603 -1.433506
H -6.722721 -0.811391 -1.043616
H -7.561532 0.193878 0.036618


