%chk=000185626.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185626

0 1
O 0.429571 2.648375 0.017185
O -2.343796 3.521834 0.254588
O 4.395749 0.711429 0.824964
N -2.374042 -2.875435 -0.174653
C -1.166406 -2.042000 0.160745
C -1.463403 -0.551896 0.150811
C -0.057769 -2.319385 -0.884931
C -2.778115 -0.059474 0.192006
C -3.569934 -2.414444 0.603779
C -0.366107 0.337617 0.097168
C -3.945579 -1.001059 0.140372
C 1.165789 -1.536841 -0.507182
C 1.000618 -0.227516 0.024426
C -0.613187 1.723940 0.081458
C -3.015479 1.317172 0.240781
C -2.115765 -4.320139 0.111507
C -1.935862 2.212276 0.193745
C 2.441495 -2.082703 -0.634961
C 2.115546 0.473012 0.476437
C 3.393716 -0.109900 0.347283
C 3.576505 -1.373857 -0.216197
C 0.954844 2.824681 -1.329654
C -1.346219 4.553347 0.468400
C 5.752426 0.210765 0.782908
H -0.769914 -2.295363 1.184263
H -0.414314 -2.023908 -1.895147
H 0.151933 -3.403816 -0.950604
H -3.404594 -2.424456 1.703012
H -4.411865 -3.109651 0.395539
H -4.794242 -0.623253 0.743490
H -4.307875 -1.041728 -0.913102
H -4.025733 1.717322 0.304431
H -2.981008 -4.909299 -0.232825
H -1.928700 -4.558054 1.168958
H -1.245673 -4.657014 -0.477051
H 2.568605 -3.077943 -1.059888
H 2.018584 1.467197 0.924133
H 4.559734 -1.815512 -0.326859
H 1.350302 1.877487 -1.709669
H 1.759014 3.550357 -1.169523
H 0.174267 3.218484 -1.984787
H -0.643559 4.263224 1.257298
H -1.966440 5.405605 0.767887
H -0.818500 4.743720 -0.469601
H 6.063164 0.039895 -0.251489
H 5.844283 -0.693375 1.391386
H 6.312433 1.042683 1.229563


%chk=000185626-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185626

0 1
O 0.550964 2.642482 -0.218915
O -2.115452 3.619950 -0.224495
O 4.574689 0.650135 0.778687
N -2.372881 -2.884486 -0.093964
C -1.153039 -2.067478 0.148090
C -1.420343 -0.558321 0.050220
C -0.017897 -2.409755 -0.845918
C -2.738701 -0.043112 0.019569
C -3.543041 -2.347331 0.643033
C -0.286571 0.321276 -0.016206
C -3.932874 -0.981812 0.064117
C 1.225792 -1.629064 -0.463760
C 1.083880 -0.271115 -0.026996
C -0.525200 1.723276 -0.114958
C -2.944908 1.354207 -0.046029
C -2.161932 -4.316281 0.208277
C -1.852886 2.234254 -0.103700
C 2.505750 -2.213614 -0.498427
C 2.237186 0.439024 0.385189
C 3.513713 -0.168096 0.343375
C 3.663502 -1.500498 -0.108307
C 0.703387 3.227150 -1.571675
C -1.616047 4.454869 0.892059
C 5.917459 0.070731 0.762785
H -0.760187 -2.273165 1.183964
H -0.369660 -2.150912 -1.865154
H 0.207811 -3.489722 -0.838679
H -3.332750 -2.251740 1.740103
H -4.380640 -3.059610 0.528906
H -4.749056 -0.532520 0.661827
H -4.322629 -1.133806 -0.961451
H -3.956113 1.775058 -0.050746
H -3.104319 -4.864481 0.034186
H -1.843324 -4.498941 1.266473
H -1.398905 -4.751297 -0.457794
H 2.606883 -3.253426 -0.832323
H 2.160048 1.469976 0.731917
H 4.642202 -1.987659 -0.147898
H 0.939641 2.432297 -2.303603
H 1.546946 3.930559 -1.496822
H -0.219321 3.759321 -1.866480
H -2.132952 4.180442 1.831768
H -1.867260 5.490800 0.616618
H -0.524807 4.338216 1.012032
H 6.223957 -0.215048 -0.263101
H 5.985453 -0.813990 1.426514
H 6.578928 0.865662 1.138092


