%chk=000281042.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281042

0 1
O -1.103992 2.958895 2.489489
N 0.243134 1.323862 0.574659
N -0.535267 -0.220331 -1.255979
N 0.434363 1.015540 -2.802533
N -0.570858 0.341769 -2.523767
C 0.659765 0.345725 -0.461350
C 1.460852 1.062977 -1.683722
C 1.541483 -0.748058 0.124087
C -0.782637 2.330772 0.135861
C -0.216861 0.761449 1.889059
C 2.659141 0.241245 -2.166080
C 1.886383 2.499690 -1.418976
C -0.796119 3.465268 1.175300
C -0.196214 1.917401 2.904405
C -1.738498 -0.793786 -0.721808
C 2.565419 -0.381411 1.017594
C 1.424196 -2.089513 -0.265654
C -1.680505 -1.635359 0.404207
C -2.976929 -0.551118 -1.354243
C 3.425593 -1.347764 1.540795
C 2.288701 -3.054782 0.261217
C 3.286420 -2.689177 1.167813
C -2.853295 -2.220211 0.888336
C -4.133707 -1.149711 -0.857995
C -4.080659 -1.982245 0.265758
H -1.799283 1.886778 0.044231
H -0.518013 2.745550 -0.862931
H 0.446817 -0.056445 2.232040
H -1.248379 0.344260 1.833494
H 3.474593 0.243472 -1.433435
H 2.399351 -0.804237 -2.376991
H 3.055650 0.656654 -3.104219
H 2.393795 2.586894 -0.449255
H 2.568967 2.861793 -2.198946
H 1.031999 3.193666 -1.405318
H 0.171815 3.994983 1.215555
H -1.620275 4.178913 0.997764
H -0.608870 1.618533 3.883818
H 0.813568 2.345958 3.024726
H 2.686954 0.666131 1.301527
H 0.663600 -2.393054 -0.989649
H -0.736123 -1.848230 0.900421
H -3.033030 0.087973 -2.236267
H 4.210016 -1.055458 2.237334
H 2.183006 -4.095456 -0.043391
H 3.956932 -3.442532 1.577550
H -2.803990 -2.872570 1.760169
H -5.088248 -0.963648 -1.350892
H -4.988359 -2.441856 0.648692


%chk=000281042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281042

0 1
O -1.007226 3.209328 2.588122
N 0.174892 1.383743 0.644347
N -0.610070 -0.112355 -1.203591
N 0.245440 1.457165 -2.583891
N -0.788035 0.709109 -2.353935
C 0.588646 0.406602 -0.380660
C 1.367037 1.106862 -1.604942
C 1.477743 -0.692780 0.208811
C -0.725644 2.489528 0.208994
C -0.254579 0.923478 1.997860
C 2.244541 0.108236 -2.412187
C 2.209660 2.338363 -1.244266
C -0.658872 3.643316 1.227241
C -0.134601 2.093313 2.987276
C -1.757708 -0.842255 -0.761448
C 2.517808 -0.321846 1.102296
C 1.390138 -2.043713 -0.205552
C -1.746744 -1.590662 0.446675
C -2.930331 -0.861154 -1.571050
C 3.432173 -1.281515 1.585407
C 2.305418 -3.005351 0.276541
C 3.329638 -2.631598 1.175769
C -2.885911 -2.326794 0.837071
C -4.057611 -1.602583 -1.167960
C -4.050358 -2.341497 0.038931
H -1.775869 2.129766 0.119370
H -0.428361 2.873720 -0.779789
H 0.378611 0.087845 2.336157
H -1.311819 0.580226 1.988628
H 3.137976 -0.190249 -1.838971
H 1.683950 -0.799108 -2.691918
H 2.568442 0.610761 -3.339818
H 3.118682 2.027103 -0.700067
H 2.521319 2.837932 -2.178177
H 1.674640 3.065784 -0.617872
H 0.366192 4.076211 1.226977
H -1.389591 4.428945 0.973126
H -0.477863 1.797901 3.992818
H 0.921623 2.438911 3.037528
H 2.600723 0.725187 1.414048
H 0.608832 -2.345437 -0.909980
H -0.857879 -1.617771 1.079323
H -2.940685 -0.291845 -2.502406
H 4.225643 -0.974982 2.276174
H 2.217401 -4.046238 -0.053730
H 4.038679 -3.378923 1.548582
H -2.853247 -2.894914 1.773654
H -4.950066 -1.601061 -1.804134
H -4.930375 -2.915505 0.347119


