%chk=000220349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220349

0 1
O -0.315100 -2.969896 -0.959137
N 0.624021 -0.790813 2.439753
C 1.366838 0.816481 -1.166921
C 2.276805 -0.354952 -0.678233
C 2.649589 -0.293498 0.839234
C 1.991103 2.162487 -0.722753
C 3.203781 1.106556 1.207995
C 2.244889 2.219555 0.784141
C 1.682709 -1.713098 -1.067349
C -0.066562 0.639560 -0.680844
C 1.311266 0.812751 -2.711720
C 3.725839 -1.352490 1.156888
C -0.611555 -0.653394 -0.563900
C 0.191354 -1.869999 -0.859037
C 1.495259 -0.573601 1.713894
C -0.888188 1.741404 -0.405631
C -1.941476 -0.831900 -0.155358
C -2.211563 1.564208 0.003349
C -2.749495 0.275040 0.131336
C -4.157440 0.090825 0.566255
C -5.053071 -0.564369 -0.437515
C -4.572763 0.489915 1.770988
H 3.250972 -0.247830 -1.225449
H 1.335343 3.002155 -1.027233
H 2.942058 2.321680 -1.267882
H 4.189675 1.250519 0.725587
H 3.393236 1.161857 2.297815
H 1.287037 2.130213 1.337953
H 2.662829 3.205778 1.062637
H 2.197975 -2.537605 -0.523391
H 1.895397 -1.924467 -2.138337
H 0.826487 -0.090275 -3.100441
H 0.731401 1.664739 -3.086697
H 2.308438 0.871301 -3.157824
H 4.003922 -1.340005 2.218135
H 3.372325 -2.368691 0.931386
H 4.639997 -1.186844 0.577460
H -0.495932 2.753647 -0.506920
H -2.335172 -1.849078 -0.057712
H -2.832939 2.432618 0.225088
H -4.777217 -1.619277 -0.582906
H -4.983117 -0.073913 -1.418151
H -6.107693 -0.544766 -0.134695
H -5.585099 0.371759 2.123361
H -3.921561 0.949115 2.500280


%chk=000220349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220349

0 1
O -0.409002 -2.899967 -1.135872
N 0.660292 -1.093021 2.427248
C 1.403968 0.954396 -1.097122
C 2.268904 -0.314289 -0.752820
C 2.667638 -0.461784 0.772620
C 2.083041 2.214345 -0.484414
C 3.280326 0.882679 1.292376
C 2.364628 2.091259 1.025582
C 1.618910 -1.587084 -1.343297
C -0.055203 0.754278 -0.640497
C 1.378903 1.156267 -2.648280
C 3.732905 -1.589818 0.945122
C -0.656464 -0.540029 -0.673026
C 0.128761 -1.756697 -1.040523
C 1.519198 -0.805836 1.649414
C -0.882331 1.839616 -0.257648
C -2.020094 -0.716481 -0.330877
C -2.235823 1.655864 0.078730
C -2.847358 0.368182 0.040541
C -4.284575 0.157807 0.395678
C -4.728907 -1.262301 0.711701
C -5.186375 1.182025 0.428444
H 3.245670 -0.166360 -1.262545
H 1.481129 3.116235 -0.700735
H 3.047639 2.362515 -1.013920
H 4.249403 1.028372 0.771550
H 3.501094 0.783887 2.371474
H 1.418212 1.978322 1.588782
H 2.850668 3.013740 1.395791
H 2.130636 -2.512459 -1.028789
H 1.712259 -1.562921 -2.447610
H 0.822995 0.358805 -3.169855
H 0.883156 2.113611 -2.891930
H 2.408505 1.191082 -3.053775
H 4.114557 -1.595757 1.981153
H 3.323763 -2.591310 0.734424
H 4.583029 -1.405128 0.262773
H -0.467298 2.850721 -0.203127
H -2.403931 -1.740624 -0.365455
H -2.821433 2.523240 0.401843
H -4.094846 -1.716914 1.495463
H -4.660114 -1.915410 -0.179488
H -5.775759 -1.277383 1.057339
H -6.231335 1.004630 0.704153
H -4.924741 2.213093 0.166906


