%chk=000212086.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212086

0 1
O 4.817296 0.350669 0.132859
O -1.571587 -2.478549 1.439382
N 1.999196 0.158456 -0.174956
N -0.266418 0.904354 -0.364397
N 0.182147 -1.180819 0.741627
C -2.530384 1.809536 -0.781910
C -1.663498 0.722900 -0.208733
C -3.962475 1.731543 -0.228145
C -4.478633 0.287699 -0.245045
C -3.603425 -0.617460 0.631374
C -2.138429 -0.393802 0.408636
C 0.610424 -0.099651 0.132291
C 2.603081 1.228956 0.690273
C 2.847801 -1.082519 -0.149632
C 4.005242 1.538443 0.137381
C 4.245023 -0.709337 -0.662921
C -1.222544 -1.447914 0.909901
H -2.108053 2.813522 -0.574777
H -2.553402 1.704937 -1.889310
H -3.984204 2.123464 0.808267
H -4.628219 2.385884 -0.821214
H -4.493751 -0.096891 -1.283435
H -5.526485 0.253282 0.107871
H -3.847323 -1.687090 0.445669
H -3.828793 -0.450983 1.707303
H 2.679454 0.905390 1.754011
H 1.968608 2.137365 0.666069
H 2.378254 -1.851037 -0.803281
H 2.906093 -1.530138 0.869661
H 0.094973 1.687326 -0.904087
H 3.961827 1.953640 -0.884971
H 4.571987 2.213303 0.804228
H 4.970679 -1.530357 -0.516723
H 4.229037 -0.395320 -1.721266


%chk=000212086-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212086

0 1
O 4.806099 0.369702 -0.290644
O -1.593722 -2.843035 0.480979
N 2.005981 0.171023 0.345772
N -0.236739 0.985974 0.153778
N 0.210683 -1.349151 0.404216
C -2.487595 2.002137 -0.130468
C -1.627263 0.767849 0.059606
C -3.976814 1.697413 0.158800
C -4.404563 0.376658 -0.522873
C -3.596649 -0.817756 0.032010
C -2.115927 -0.515944 0.138549
C 0.640007 -0.094164 0.304286
C 2.635360 1.495206 0.190672
C 2.941712 -0.913996 0.728511
C 3.859321 1.386891 -0.752117
C 4.133428 -0.947806 -0.236936
C -1.174480 -1.649654 0.354985
H -2.130460 2.819230 0.530770
H -2.376881 2.368474 -1.172649
H -4.128585 1.608779 1.252289
H -4.600861 2.540405 -0.191941
H -4.241551 0.462537 -1.616129
H -5.486323 0.203676 -0.370724
H -3.726375 -1.719532 -0.594373
H -3.973949 -1.107915 1.033800
H 2.965610 1.882600 1.177850
H 1.937969 2.227763 -0.254547
H 2.371505 -1.857456 0.708817
H 3.306548 -0.732683 1.760786
H 0.099034 1.948697 0.180215
H 3.509778 1.144349 -1.779763
H 4.420679 2.336028 -0.766134
H 4.903811 -1.654566 0.110035
H 3.794711 -1.232932 -1.255428


