%chk=000297224.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297224

0 1
O 0.362553 -3.342363 0.369130
O 2.934822 3.411867 0.580286
O -0.383368 -1.837388 1.875070
N 3.262843 -0.572316 -0.915533
N -2.249223 1.492803 -2.301922
C 0.927852 0.310651 0.459312
C 2.125431 1.211646 0.248202
C 1.255799 -1.155444 0.254524
C -0.195517 0.701233 -0.499101
C 3.205443 0.772220 -0.459078
C 2.336548 -1.542278 -0.480128
C -1.542161 0.865224 -0.022182
C 2.060553 2.587511 0.794957
C 0.062954 0.911952 -1.834975
C 0.332843 -2.073603 0.923303
C 4.414207 1.564969 -0.809564
C 2.654265 -2.946710 -0.855277
C -2.537093 1.277123 -0.956569
C -1.943404 0.631815 1.330316
C -0.997930 1.305850 -2.709645
C 0.878913 2.965509 1.639848
C -3.889488 1.481640 -0.524350
C -3.242921 0.828094 1.722845
C -4.226282 1.265276 0.786424
C -0.581825 -4.328288 0.897867
C -1.958566 -4.074506 0.321302
H 0.572434 0.427095 1.524796
H 4.061619 -0.867622 -1.474130
H 1.063275 0.792977 -2.243009
H 5.205258 1.449105 -0.051378
H 4.188311 2.659283 -0.812531
H 4.839423 1.331424 -1.791734
H 3.600586 -3.088490 -1.387106
H 1.844273 -3.365186 -1.486011
H 2.670920 -3.600193 0.038247
H -1.194616 0.260344 2.041124
H -0.790267 1.473761 -3.773949
H 0.760702 2.308958 2.511232
H -0.061637 2.927594 1.068662
H 0.983878 3.995175 2.015379
H -4.621455 1.806720 -1.265047
H -3.545927 0.644912 2.752701
H -5.247994 1.417220 1.132852
H -0.124566 -5.267973 0.541325
H -0.567253 -4.273965 2.001527
H -2.659057 -4.876194 0.580214
H -2.379692 -3.131027 0.704161
H -1.931061 -3.988702 -0.772388


%chk=000297224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297224

0 1
O 0.449831 -3.460452 0.514065
O 3.166324 3.294183 0.874354
O -0.405734 -1.797431 1.906083
N 3.085126 -0.515584 -1.082518
N -2.211309 1.767618 -2.439998
C 0.855164 0.318428 0.434832
C 2.119603 1.182722 0.314950
C 1.173641 -1.170332 0.190377
C -0.252033 0.806000 -0.535568
C 3.150733 0.767246 -0.516514
C 2.211369 -1.525788 -0.655518
C -1.633431 0.976032 -0.134769
C 2.192047 2.482327 1.026818
C 0.076729 1.117452 -1.862796
C 0.342209 -2.124538 0.939014
C 4.396935 1.546178 -0.868636
C 2.574245 -2.910741 -1.148647
C -2.572135 1.479000 -1.128164
C -2.133739 0.692514 1.181658
C -0.921251 1.575790 -2.773448
C 1.056800 2.850011 1.980665
C -3.940428 1.699404 -0.767123
C -3.474132 0.918385 1.503340
C -4.386061 1.430871 0.527596
C -0.411038 -4.446472 1.238758
C -1.819271 -4.483999 0.638195
H 0.467055 0.390802 1.462596
H 3.842820 -0.786023 -1.711800
H 1.108132 1.027367 -2.214373
H 4.991483 1.765188 0.034493
H 4.143076 2.532685 -1.289155
H 5.024119 0.986088 -1.588777
H 3.417820 -2.866851 -1.862331
H 1.714091 -3.391880 -1.638677
H 2.858353 -3.569264 -0.310570
H -1.471726 0.247973 1.929264
H -0.651029 1.806699 -3.811382
H 0.993840 2.131850 2.821085
H 0.075011 2.844863 1.473203
H 1.251532 3.854954 2.384809
H -4.606648 2.082366 -1.546277
H -3.832973 0.690964 2.513202
H -5.433578 1.603832 0.798261
H 0.122077 -5.401882 1.103677
H -0.438651 -4.171524 2.307372
H -2.414729 -5.274483 1.132130
H -2.333491 -3.520351 0.788992
H -1.782378 -4.704495 -0.442749


