%chk=000240958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240958

0 1
O 1.922745 -3.281086 1.532505
O -3.333903 -2.720039 0.389042
N -0.117386 -1.424934 -1.035679
C 1.194125 -2.144265 -0.871135
C -0.888440 -1.442507 0.254905
C 2.092817 -1.420065 0.098641
C -2.181664 -0.679322 0.131373
C 2.621442 -0.115770 -0.177143
C -2.212477 0.742506 -0.053619
C -0.903329 -2.059295 -2.136782
C 3.505489 0.494248 0.756417
C -3.464822 1.415717 -0.113043
C 2.454985 -2.029856 1.290571
C -3.392551 -1.348790 0.223760
C 2.289587 0.605773 -1.371763
C -1.013843 1.520163 -0.179613
C 3.847620 -0.187711 1.965534
C -4.680060 0.671251 -0.003248
C 3.334081 -1.429388 2.238254
C -4.654758 -0.690046 0.161042
C 4.044723 1.790923 0.475111
C -3.494132 2.837722 -0.283035
C 2.819547 1.846580 -1.614184
C -1.071958 2.879817 -0.342053
C 3.713537 2.449471 -0.680652
C -2.329221 3.551960 -0.391938
H 1.691957 -2.180619 -1.867935
H 1.065163 -3.205520 -0.548627
H -0.251554 -0.960929 1.034677
H -1.091669 -2.479302 0.616576
H -0.315355 -2.044873 -3.066032
H -1.806954 -1.450311 -2.313565
H -1.226120 -3.091727 -1.936366
H 1.585560 0.153447 -2.075679
H -0.050263 1.000734 -0.162781
H 4.524668 0.298721 2.668421
H -5.628861 1.205823 -0.052924
H 3.582022 -1.958539 3.153460
H -5.569109 -1.269326 0.243546
H 4.722356 2.240507 1.199318
H -4.460884 3.336496 -0.323439
H 2.564456 2.392920 -2.521317
H -0.159687 3.467105 -0.438035
H 4.120260 3.433581 -0.903533
H -2.341901 4.632138 -0.519402
H 2.233850 -3.650613 2.392981
H -4.233091 -3.113171 0.485489


%chk=000240958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240958

0 1
O 1.887236 -3.315304 1.582065
O -3.376188 -2.781054 0.446282
N -0.127877 -1.404767 -1.056440
C 1.190884 -2.091208 -0.876317
C -0.910049 -1.402893 0.222279
C 2.113805 -1.408135 0.121079
C -2.239539 -0.673808 0.118434
C 2.702047 -0.118250 -0.153503
C -2.308857 0.755240 -0.079534
C -0.879554 -2.024770 -2.172167
C 3.642142 0.469180 0.783567
C -3.596249 1.425067 -0.116744
C 2.466880 -2.055791 1.316575
C -3.444746 -1.380963 0.261731
C 2.388076 0.619071 -1.347008
C -1.125710 1.554812 -0.239046
C 3.963317 -0.241538 1.984988
C -4.789787 0.648952 0.039565
C 3.385877 -1.479761 2.251338
C -4.718958 -0.729132 0.224601
C 4.235838 1.740806 0.491061
C -3.652211 2.845880 -0.301666
C 2.985300 1.855467 -1.606304
C -1.211817 2.938168 -0.414123
C 3.919910 2.424760 -0.684132
C -2.482953 3.594674 -0.446201
H 1.679862 -2.100146 -1.870618
H 1.051135 -3.151704 -0.566939
H -0.277101 -0.907447 0.983135
H -1.094142 -2.442300 0.572672
H -0.280408 -1.958979 -3.098802
H -1.823759 -1.477971 -2.331312
H -1.128043 -3.099394 -1.989451
H 1.642956 0.210937 -2.035767
H -0.151943 1.060114 -0.253863
H 4.671150 0.200947 2.695325
H -5.763005 1.152662 0.012808
H 3.632970 -2.020968 3.174536
H -5.636299 -1.321430 0.343509
H 4.946130 2.168518 1.209148
H -4.633317 3.336062 -0.326387
H 2.731468 2.400178 -2.522809
H -0.294651 3.526175 -0.533852
H 4.379270 3.395151 -0.902057
H -2.533329 4.680216 -0.586036
H 2.205326 -3.667726 2.449592
H -4.284090 -3.157999 0.554889


