%chk=000233347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233347

0 1
O 5.411253 0.602937 0.225724
N -1.116189 -0.124582 -0.150292
N 1.775306 -0.119290 -0.049015
C -0.357986 -1.371982 -0.487899
C 1.032364 -0.958586 -1.044874
C -0.380583 0.705068 0.855808
C 0.984112 1.114947 0.268149
C -2.519929 -0.407812 0.290206
C -3.412933 0.829888 0.013966
C -0.204545 -2.379546 0.660495
C 3.138386 0.232837 -0.557249
C -3.631311 1.024088 -1.489526
C -4.752227 0.669600 0.745166
C 4.069916 0.343077 0.663516
H -0.923130 -1.864531 -1.324830
H 1.630940 -1.873920 -1.238957
H 0.888318 -0.440979 -2.018169
H -0.231915 0.179454 1.824170
H -0.981188 1.617674 1.062984
H 0.826209 1.766641 -0.619159
H 1.545866 1.707374 1.020259
H -2.583374 -0.688267 1.362938
H -2.912380 -1.275121 -0.282237
H -2.896566 1.738829 0.414170
H -1.164633 -2.643699 1.110140
H 0.265433 -3.305404 0.314404
H 0.441407 -1.975788 1.452784
H 3.167824 1.165169 -1.157455
H 3.525944 -0.568651 -1.224543
H -4.196091 0.197844 -1.931666
H -4.175047 1.949472 -1.699971
H -2.665080 1.075089 -2.010779
H -5.291348 -0.224622 0.414746
H -5.406826 1.527701 0.555810
H -4.617033 0.594836 1.828659
H 4.162281 -0.622107 1.197617
H 3.753036 1.126081 1.371546
H 5.474921 1.480379 -0.194536


%chk=000233347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233347

0 1
O 5.479030 0.641554 0.180574
N -1.118870 -0.137405 -0.056219
N 1.765171 -0.129027 -0.093554
C -0.371832 -1.370326 -0.444211
C 0.983044 -0.944190 -1.056926
C -0.354239 0.721690 0.875745
C 1.006773 1.095127 0.264422
C -2.524111 -0.366154 0.350819
C -3.459494 0.838335 0.057228
C -0.174120 -2.409036 0.695957
C 3.147081 0.145817 -0.541028
C -3.527149 1.131443 -1.457377
C -4.862950 0.570645 0.648680
C 4.103694 0.393306 0.644207
H -0.959416 -1.848211 -1.254500
H 1.568953 -1.845858 -1.314088
H 0.778788 -0.377078 -2.000084
H -0.187802 0.233461 1.867588
H -0.928532 1.648552 1.057410
H 0.831224 1.735187 -0.638616
H 1.585913 1.686181 0.997045
H -2.608270 -0.628849 1.436318
H -2.903487 -1.240167 -0.216853
H -3.042611 1.734566 0.563138
H -1.129679 -2.631838 1.204551
H 0.216111 -3.357909 0.282617
H 0.551982 -2.041307 1.440700
H 3.195150 1.020249 -1.245110
H 3.523473 -0.731556 -1.098326
H -4.022772 0.297730 -1.993254
H -4.101113 2.054116 -1.663401
H -2.508384 1.245036 -1.868093
H -5.318244 -0.327992 0.188202
H -5.541305 1.422883 0.459972
H -4.818557 0.405367 1.742131
H 4.170390 -0.511983 1.266688
H 3.746626 1.230460 1.280297
H 5.482737 1.451280 -0.390548


