%chk=000250679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250679

0 1
N 0.949025 0.224077 0.197092
N -1.732744 -0.849224 -0.170841
C 0.630189 -1.218482 0.504718
C -0.519123 -1.690583 -0.427351
C -0.277243 1.065361 0.411323
C -1.420281 0.580577 -0.497976
C 2.072653 0.720569 1.063631
C 1.835588 -2.106339 0.250158
C -2.891591 -1.350798 -0.983821
C 2.514586 2.096998 0.626752
C -4.164008 -0.635070 -0.595501
C 2.165575 -3.103915 1.178909
C 2.605475 -1.961190 -0.913864
C 3.255101 -3.947757 0.943458
C 3.694842 -2.804543 -1.143976
C 2.771512 2.364130 -0.727125
C 2.702693 3.107413 1.581071
C -4.516316 -0.496865 0.756052
C -5.015547 -0.132588 -1.590046
C 4.021059 -3.800109 -0.216789
C 3.212576 3.629403 -1.119747
C 3.148241 4.371512 1.182793
C -5.710046 0.137021 1.106720
C -6.211476 0.497960 -1.233251
C 3.403784 4.635310 -0.165905
C -6.561148 0.633908 0.113300
H 0.288196 -1.335990 1.568877
H -0.180589 -1.657901 -1.485716
H -0.761453 -2.748118 -0.189076
H -0.020008 2.115323 0.146334
H -0.616569 1.066801 1.470343
H -2.329898 1.190361 -0.302357
H -1.145726 0.731296 -1.564381
H 2.938665 0.023798 0.943138
H 1.816579 0.709778 2.146130
H -3.019538 -2.437177 -0.760178
H -2.714526 -1.276545 -2.079833
H 1.574886 -3.227081 2.084795
H 2.352481 -1.176750 -1.629214
H 3.506928 -4.721298 1.666725
H 4.291267 -2.686064 -2.046919
H 2.612292 1.578307 -1.466401
H 2.504707 2.913172 2.632742
H -3.843711 -0.877924 1.525912
H -4.751424 -0.230615 -2.640557
H 4.869060 -4.457067 -0.397980
H 3.409059 3.833154 -2.170751
H 3.295341 5.152106 1.926909
H -5.979070 0.244038 2.156046
H -6.870899 0.884694 -2.008051
H 3.749966 5.619264 -0.473469
H -7.491691 1.124963 0.388548


%chk=000250679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250679

0 1
N 0.905898 0.294482 0.270272
N -1.740423 -0.767064 -0.293761
C 0.602930 -1.149713 0.502002
C -0.529253 -1.594758 -0.462447
C -0.321482 1.125084 0.401906
C -1.422139 0.656236 -0.555474
C 1.992583 0.803645 1.145974
C 1.818649 -2.045961 0.280089
C -2.888887 -1.264773 -1.085473
C 2.557907 2.143118 0.683184
C -4.221643 -0.655979 -0.656713
C 2.105687 -3.099178 1.182583
C 2.634846 -1.888755 -0.870032
C 3.185369 -3.980636 0.945064
C 3.716870 -2.763648 -1.107812
C 2.703448 2.432363 -0.697493
C 2.998832 3.100263 1.630093
C -4.500299 -0.423622 0.714127
C -5.219158 -0.359031 -1.617374
C 3.994837 -3.815417 -0.202263
C 3.282200 3.649099 -1.120382
C 3.583785 4.317170 1.210499
C -5.753712 0.088377 1.115112
C -6.477320 0.149330 -1.218872
C 3.728389 4.595964 -0.167981
C -6.749062 0.374079 0.150148
H 0.224954 -1.307243 1.545139
H -0.130032 -1.542193 -1.507609
H -0.777683 -2.650613 -0.248565
H -0.055500 2.173089 0.177860
H -0.717857 1.086976 1.447979
H -2.331373 1.262829 -0.397817
H -1.083356 0.807286 -1.612014
H 2.804769 0.052403 1.137297
H 1.655116 0.895439 2.209686
H -2.930667 -2.363474 -0.939219
H -2.745804 -1.097478 -2.184086
H 1.482209 -3.226971 2.076697
H 2.422272 -1.061538 -1.556721
H 3.396947 -4.789322 1.653880
H 4.343994 -2.627601 -1.996399
H 2.342448 1.696447 -1.424696
H 2.883045 2.892730 2.701718
H -3.715475 -0.639030 1.447790
H -5.010443 -0.524050 -2.682279
H 4.834785 -4.494732 -0.386676
H 3.386560 3.860539 -2.191091
H 3.919943 5.047057 1.955997
H -5.956552 0.264499 2.177989
H -7.239457 0.374593 -1.973733
H 4.178156 5.540042 -0.495930
H -7.722149 0.770947 0.461229


