%chk=000241018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241018

0 1
O -1.824805 -0.669030 -0.802418
O -1.267558 -2.360295 0.605942
O 2.267481 3.379325 -0.628649
O 3.869740 -2.412408 1.616334
O 1.605889 2.479320 -2.482531
O 4.051363 -0.514850 2.642323
N 1.933944 2.430446 -1.312330
N 3.619630 -1.231284 1.759552
C -4.103629 -0.148074 -0.168649
C -5.572439 -0.424607 -0.547267
C 4.420168 1.029929 -0.163231
C -3.871423 -0.170401 1.355446
C -6.491612 0.744712 -0.171168
C -3.207252 -1.155230 -0.903348
C 2.976622 0.504864 0.001094
C -7.949198 0.459454 -0.560062
C 5.451445 -0.109842 -0.052551
C 4.632447 1.675011 -1.546609
C 4.634816 2.061912 0.951957
C 1.867001 1.099145 -0.645200
C 2.657302 -0.620611 0.797608
C -4.077176 -1.532365 2.009890
C 0.361480 -0.672611 0.029278
C 0.593059 0.513095 -0.672610
C 1.394797 -1.229459 0.790193
C -0.962641 -1.350504 0.014533
C -8.868411 1.620224 -0.187355
H -3.827040 0.875865 -0.532566
H -5.654110 -0.618513 -1.634545
H -5.919441 -1.350827 -0.047053
H -4.548036 0.571519 1.827203
H -2.842655 0.185551 1.564326
H -6.147078 1.673549 -0.665205
H -6.426635 0.940698 0.917561
H -3.367091 -1.159035 -1.995989
H -3.277665 -2.180845 -0.498566
H -8.018679 0.263132 -1.647957
H -8.297724 -0.466965 -0.062639
H 6.385634 0.157223 -0.568556
H 5.764467 -0.309659 0.979945
H 5.109856 -1.042411 -0.513788
H 5.696679 1.660235 -1.825021
H 4.104943 1.149232 -2.349251
H 4.364375 2.738697 -1.572112
H 5.644502 2.486968 0.907979
H 3.927997 2.901907 0.876948
H 4.515467 1.618245 1.951933
H -3.309041 -2.254387 1.692827
H -5.056571 -1.959013 1.766647
H -4.013992 -1.458892 3.101499
H -0.227208 0.977799 -1.242539
H 1.206060 -2.142836 1.377163
H -8.854840 1.817094 0.890783
H -8.575262 2.547371 -0.693030
H -9.906548 1.408837 -0.467973


%chk=000241018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241018

0 1
O -1.826507 -0.487860 -0.798656
O -1.229371 -2.298239 0.563449
O 2.518678 3.474909 -0.424710
O 3.791859 -2.662871 1.501675
O 1.645430 2.674226 -2.373692
O 4.183102 -0.725261 2.640107
N 2.087076 2.519119 -1.174340
N 3.650316 -1.395916 1.676836
C -4.207539 0.020059 -0.260013
C -5.659873 -0.412186 -0.613064
C 4.606275 0.974238 -0.130350
C -3.951136 0.185320 1.264519
C -6.747346 0.571761 -0.125476
C -3.237430 -0.978727 -0.919093
C 3.121656 0.519371 0.054531
C -8.160688 0.193952 -0.626062
C 5.582074 -0.249319 -0.125705
C 4.821351 1.665786 -1.517846
C 5.014549 1.963053 1.007982
C 2.003175 1.157904 -0.571302
C 2.729622 -0.664098 0.759345
C -4.221351 -1.066652 2.130680
C 0.414326 -0.597514 0.001988
C 0.700997 0.624203 -0.636402
C 1.443004 -1.233030 0.723678
C -0.941763 -1.229910 -0.028983
C -9.252573 1.165632 -0.129211
H -4.030784 1.009694 -0.733332
H -5.743773 -0.510191 -1.716306
H -5.865302 -1.419811 -0.197291
H -4.574548 1.023136 1.631523
H -2.901456 0.508840 1.410267
H -6.499020 1.597252 -0.471018
H -6.756852 0.608657 0.982231
H -3.415514 -1.042614 -2.006377
H -3.296395 -1.984154 -0.467261
H -8.160304 0.170738 -1.735076
H -8.401235 -0.836749 -0.294010
H 6.561194 0.096254 -0.499839
H 5.763550 -0.663867 0.876067
H 5.237474 -1.056996 -0.797117
H 5.908047 1.747054 -1.692052
H 4.396141 1.071269 -2.347125
H 4.424163 2.689390 -1.564132
H 6.065146 2.270867 0.852514
H 4.379981 2.864102 0.994164
H 4.933542 1.480960 1.995882
H -3.576845 -1.915111 1.838585
H -5.275524 -1.392651 2.064529
H -4.011299 -0.846616 3.193217
H -0.082768 1.159003 -1.177710
H 1.234144 -2.166330 1.255260
H -9.294925 1.183131 0.976241
H -9.050997 2.197839 -0.472829
H -10.252355 0.875361 -0.500690


