%chk=000213036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213036

0 1
O -1.154910 0.593349 1.684262
N -2.355231 0.154892 -0.189820
C 0.145489 0.213497 -0.353181
C 1.324951 0.505914 0.604870
C 0.231661 -1.217526 -0.937123
C 0.112003 1.233580 -1.519612
C -1.150869 0.344404 0.487268
C 2.707413 0.393940 -0.046442
C 0.126751 -2.320893 0.124663
C -0.180859 2.662507 -1.073802
C 3.818526 0.733424 0.944967
C 0.254668 -3.709876 -0.495754
C -3.646628 0.251535 0.518999
H 1.191262 1.518761 1.039371
H 1.260448 -0.178104 1.477175
H -0.553539 -1.367217 -1.701591
H 1.192622 -1.323249 -1.480675
H -0.631872 0.923319 -2.277809
H 1.092709 1.205737 -2.039498
H 2.769797 1.070287 -0.922439
H 2.859654 -0.631197 -0.439097
H 0.913146 -2.179067 0.894143
H -0.836480 -2.240634 0.667667
H -0.136577 3.357808 -1.919158
H -1.175497 2.758280 -0.620893
H 0.545027 3.008348 -0.325653
H 3.804069 0.062763 1.812144
H 3.721306 1.756744 1.325817
H 4.806065 0.647774 0.479063
H 1.218372 -3.841729 -1.000425
H -0.532670 -3.900091 -1.233359
H 0.178989 -4.490181 0.270819
H -2.395446 -0.051145 -1.177379
H -3.478513 0.484165 1.591487
H -4.196842 -0.701394 0.463397
H -4.269193 1.054578 0.093396


%chk=000213036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213036

0 1
O -1.187919 0.640268 1.766791
N -2.378155 0.148632 -0.158464
C 0.115375 0.223524 -0.320659
C 1.317722 0.524664 0.626538
C 0.200213 -1.225793 -0.912783
C 0.065413 1.233618 -1.520248
C -1.188999 0.359167 0.528085
C 2.724272 0.402299 -0.001400
C 0.215180 -2.375124 0.119530
C -0.103337 2.717473 -1.131468
C 3.831055 0.776697 1.010023
C 0.220099 -3.764221 -0.554880
C -3.690853 0.231492 0.492169
H 1.192031 1.542300 1.041151
H 1.249416 -0.141740 1.506086
H -0.651317 -1.388897 -1.608390
H 1.110285 -1.290916 -1.543087
H -0.759675 0.945167 -2.205048
H 0.993145 1.109799 -2.112744
H 2.811500 1.060223 -0.889217
H 2.898727 -0.632146 -0.358791
H 1.105460 -2.282867 0.770739
H -0.665929 -2.289334 0.785566
H -0.187603 3.348269 -2.035522
H -1.012865 2.873206 -0.522871
H 0.757630 3.086128 -0.546488
H 3.789752 0.122664 1.901346
H 3.711112 1.819832 1.358574
H 4.838416 0.680966 0.564350
H 1.103966 -3.887176 -1.209546
H -0.681978 -3.908068 -1.179808
H 0.241982 -4.575003 0.196158
H -2.339455 -0.070643 -1.154074
H -3.514436 0.467761 1.553847
H -4.236536 -0.728330 0.424158
H -4.313893 1.029412 0.046175


