%chk=000206637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206637

0 1
O 4.555305 0.736498 0.081314
N -2.762041 -1.015011 0.414247
C -0.356734 1.248085 -0.473112
C -1.441978 0.459705 -1.238426
C -1.758421 -0.945314 -0.700441
C -0.839745 1.722198 0.920913
C 0.892188 0.390361 -0.298306
C -0.510325 -1.743850 -0.255207
C -1.401860 0.612687 1.812113
C 0.796797 -1.009904 -0.227421
C -2.791440 0.139328 1.368437
C -0.036997 2.504554 -1.319046
C 2.151521 1.003197 -0.183378
C -4.141252 -1.239883 -0.121323
C 1.965540 -1.785445 -0.080601
C 3.287964 0.204923 -0.032154
C 3.220683 -1.196455 0.014864
H -2.196784 -1.516920 -1.568403
H -1.113075 0.351889 -2.292604
H -2.371657 1.058157 -1.272848
H -1.602464 2.514172 0.790464
H 0.008640 2.207832 1.443773
H -0.420485 -2.633742 -0.912004
H -0.697933 -2.162974 0.763398
H -0.697580 -0.242562 1.858717
H -1.470678 0.987650 2.852877
H -3.347468 -0.229974 2.262540
H -3.369541 1.003344 0.971950
H 0.447359 2.233437 -2.263880
H -0.945507 3.064198 -1.562475
H 0.634686 3.191418 -0.794107
H 2.242106 2.084412 -0.210492
H -4.153011 -2.174703 -0.704276
H -4.528222 -0.428286 -0.754277
H -4.837436 -1.384620 0.720332
H 1.885908 -2.872272 -0.036124
H 4.128797 -1.781849 0.126992
H 4.546639 1.721519 0.041274


%chk=000206637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206637

0 1
O 4.246672 0.320620 1.035741
N -2.361223 -0.843957 0.520686
C -0.370236 1.389586 -0.647497
C -1.590943 0.730672 -1.355179
C -1.943059 -0.701449 -0.902650
C -0.844077 2.092074 0.667445
C 0.736199 0.354396 -0.348139
C -0.714877 -1.599505 -1.197315
C -1.465124 1.177196 1.743568
C 0.568991 -1.036381 -0.602667
C -2.704879 0.363033 1.301671
C 0.179153 2.491545 -1.602969
C 1.964345 0.805766 0.203677
C -3.291238 -1.970011 0.711246
C 1.635386 -1.921852 -0.298584
C 3.012265 -0.093516 0.491271
C 2.855634 -1.473845 0.238460
H -2.779534 -1.040492 -1.563458
H -1.374115 0.657870 -2.439679
H -2.464855 1.402647 -1.259020
H -1.582189 2.870690 0.379336
H 0.015118 2.629541 1.117369
H -0.612759 -1.703923 -2.299442
H -0.887668 -2.618046 -0.801950
H -0.711400 0.456524 2.112781
H -1.757869 1.816349 2.601932
H -3.213791 0.005847 2.217246
H -3.438626 1.034247 0.786157
H 0.604227 2.043942 -2.519743
H -0.635206 3.180902 -1.898458
H 0.969812 3.096035 -1.122838
H 2.105810 1.875898 0.409814
H -2.880204 -2.883347 0.243280
H -4.306369 -1.797244 0.268869
H -3.418519 -2.180552 1.788361
H 1.500276 -2.994605 -0.485247
H 3.674828 -2.160370 0.470645
H 4.251542 1.299514 1.178580


