%chk=000161391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161391

0 1
 O   0.1776000     -0.9037000       1.409300    
 N  -0.1977000       1.042500     -0.7643000    
 N    1.510000       3.126200      0.2066000    
 C    1.253100      0.8052000     -0.6264000    
 C    1.809700       1.712100      0.4934000    
 C  -0.5080000       2.450800      -1.066500    
 C   6.3000001E-02   3.338600      4.7899999E-02
 C    1.662700     -0.6379000     -0.4547000    
 C   -1.209300      0.2336000     -0.2594000    
 C    1.130100      -1.424400      0.5692000    
 C   -1.033900     -0.6945000      0.7853000    
 C    2.045000       3.989700       1.258100    
 C    2.634700      -1.208200      -1.288900    
 C   -2.512600      0.2993000     -0.8003000    
 C    1.562900      -2.733500      0.7874000    
 C   -2.099300      -1.447300       1.306000    
 C   -3.575400     -0.4639000     -0.3024000    
 C    3.059800      -2.524500      -1.091600    
 C   -3.370300      -1.331100      0.7603000    
 C    2.527200      -3.284700     -5.1800001E-02
 C   -4.929300     -0.3445000     -0.9171000    
 H    1.705600       1.146300      -1.569700    
 H    1.395900       1.429000       1.470100    
 H    2.897500       1.576800      0.5531000    
 H   -1.577000       2.662600      -1.164100    
 H  -5.2600000E-02   2.718600      -2.028800    
 H  -0.1297000       4.385600     -0.2151000    
 H  -0.4636000       3.132300      0.9893000    
 H    1.866300       5.043800       1.018200    
 H    3.130500       3.866700       1.341600    
 H    1.597500       3.778000       2.236000    
 H    3.079000     -0.6288000      -2.094400    
 H   -2.713200      0.9457000      -1.653900    
 H    1.147500      -3.325800       1.597500    
 H   -1.932200      -2.135400       2.131000    
 H    3.814500      -2.953000      -1.744900    
 H   -4.183400      -1.927900       1.163300    
 H    2.865100      -4.304900      0.1040000    
 H   -5.150700      0.6976000      -1.171700    
 H   -4.983700     -0.9507000      -1.826900    
 H   -5.713400     -0.6803000     -0.2298000    


%chk=000161391-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161391

0 1
O 0.130802 -1.018188 1.422267
N -0.262587 1.012757 -0.759484
N 1.523415 3.086967 0.218080
C 1.199801 0.772487 -0.628616
C 1.799343 1.658955 0.507254
C -0.520528 2.445002 -1.040982
C 0.071169 3.339169 0.073726
C 1.650710 -0.667239 -0.474258
C -1.296673 0.187139 -0.263330
C 1.174688 -1.487249 0.576136
C -1.128319 -0.789921 0.767979
C 2.162272 3.991012 1.193377
C 2.686602 -1.181069 -1.291777
C -2.618549 0.317398 -0.791419
C 1.723213 -2.756646 0.840350
C -2.212625 -1.540074 1.254365
C -3.720913 -0.421848 -0.308340
C 3.244124 -2.457268 -1.052348
C -3.512451 -1.353756 0.739640
C 2.769428 -3.242043 0.024032
C -5.095049 -0.250370 -0.936590
H 1.642485 1.162878 -1.569281
H 1.374439 1.328172 1.486299
H 2.895144 1.514744 0.537352
H -1.602776 2.628055 -1.113167
H -0.051189 2.721334 -2.006300
H -0.076561 4.403415 -0.193021
H -0.484569 3.143815 1.027078
H 2.001514 5.040859 0.888028
H 3.250807 3.803089 1.214807
H 1.770534 3.868709 2.234405
H 3.067133 -0.565550 -2.115969
H -2.780969 1.008266 -1.626838
H 1.320534 -3.344602 1.670721
H -2.015200 -2.255266 2.059550
H 4.044916 -2.834182 -1.697271
H -4.351079 -1.934853 1.138058
H 3.200944 -4.229573 0.220684
H -5.300758 0.805455 -1.189427
H -5.181107 -0.834573 -1.873486
H -5.892218 -0.599408 -0.257384


