%chk=000268552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268552

0 1
O 3.377426 0.874699 -0.484080
O 2.341382 -3.179324 0.348745
O -4.179116 0.685182 0.221266
N -2.331249 -0.653405 -0.012204
N 4.116287 -1.781564 0.169878
C -0.052516 0.137661 -0.236780
C 0.466157 -1.205334 -0.505222
C 1.944638 -1.080935 -0.780804
C 0.974862 1.108444 -0.223658
C -1.392458 0.429774 0.005503
C 2.259797 0.418447 -0.483479
C -1.825492 -2.068349 -0.154967
C -0.362463 -2.250089 -0.458936
C 0.667504 2.441785 0.027185
C -1.701922 1.793968 0.256448
C -0.698086 2.754082 0.261526
C 2.779486 -2.101831 -0.018190
C -3.728746 -0.441157 0.112421
C 1.705498 3.505386 0.052542
C -4.612649 -1.655105 0.108717
H 2.134145 -1.251966 -1.876146
H -2.409871 -2.559630 -0.972441
H -2.050153 -2.608024 0.799800
H -0.029402 -3.280833 -0.598870
H -2.742401 2.093105 0.446502
H -0.967053 3.793846 0.456932
H 1.718680 4.038597 1.014304
H 2.722267 3.101663 -0.103411
H 1.535524 4.255774 -0.733475
H 4.707958 -2.407388 0.696231
H 4.499524 -0.867143 -0.048647
H -5.666571 -1.338429 0.209399
H -4.405897 -2.332264 0.948330
H -4.544091 -2.229743 -0.824620


%chk=000268552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268552

0 1
O 3.408238 0.918303 -0.480469
O 2.419503 -3.308953 0.125300
O -4.274674 0.694826 0.164985
N -2.358408 -0.656998 0.004081
N 4.137805 -1.734352 0.043762
C -0.066066 0.131680 -0.202897
C 0.443240 -1.201499 -0.496629
C 1.923850 -1.079209 -0.805792
C 0.963476 1.103809 -0.189978
C -1.422010 0.433835 0.051195
C 2.239834 0.419756 -0.480243
C -1.848568 -2.078171 -0.030599
C -0.395673 -2.262799 -0.424745
C 0.685010 2.472689 0.088163
C -1.716282 1.799100 0.318834
C -0.676708 2.771310 0.333793
C 2.841879 -2.146407 -0.145646
C -3.755516 -0.458215 0.075002
C 1.761877 3.534359 0.118333
C -4.642067 -1.700920 0.034257
H 2.092040 -1.199045 -1.898561
H -2.475656 -2.649500 -0.738807
H -2.006384 -2.541094 0.969204
H -0.049970 -3.288539 -0.579967
H -2.746202 2.102892 0.502727
H -0.956216 3.809529 0.548666
H 1.335376 4.526142 0.344275
H 2.532653 3.299080 0.874673
H 2.296838 3.591699 -0.847228
H 4.808128 -2.393059 0.439347
H 4.396545 -0.758102 -0.157236
H -5.674330 -1.363696 0.205934
H -4.372998 -2.444327 0.805910
H -4.597567 -2.204224 -0.949842


