%chk=000214002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214002

0 1
O 3.352183 1.724998 -0.743814
O 0.691994 1.115656 1.481005
O 0.600487 2.226451 -3.017048
N -0.698042 0.718859 -1.776427
N 0.970808 1.874690 -0.702219
C -0.851687 0.348613 -0.334022
C 0.345882 1.120418 0.328089
C -0.637032 -1.137144 -0.088334
C -2.212152 0.809158 0.163069
C 0.322805 1.676221 -1.981659
C 2.262140 2.605574 -0.567476
C -0.288993 -2.021516 -1.115608
C -2.357017 1.931553 0.987561
C -0.787345 -1.615697 1.224753
C -3.350016 0.094685 -0.246992
C 3.757618 0.957796 0.430297
C -0.107920 -3.380307 -0.833763
C -3.632063 2.338995 1.394375
C -0.603657 -2.971257 1.499638
C -4.620178 0.507194 0.159761
C 4.858448 0.051311 -0.114949
C -0.266853 -3.857298 0.469539
C -4.763745 1.631761 0.980138
C 5.425205 -0.852169 0.985917
C 6.529776 -1.759373 0.449773
H -1.495724 0.650146 -2.399861
H 2.367963 3.308230 -1.428419
H 2.282669 3.110542 0.419391
H -0.146529 -1.662903 -2.136011
H -1.486575 2.492275 1.330930
H -1.036239 -0.922040 2.030939
H -3.241183 -0.792119 -0.872643
H 2.891205 0.396072 0.818886
H 4.120004 1.663805 1.195431
H 0.162314 -4.065395 -1.636163
H -3.739327 3.211803 2.037972
H -0.720096 -3.338493 2.518334
H -5.500152 -0.049905 -0.159805
H 4.456475 -0.555422 -0.951824
H 5.659784 0.669098 -0.567641
H -0.125113 -4.915005 0.685544
H -5.755153 1.952711 1.297004
H 5.819743 -0.234942 1.817207
H 4.614554 -1.469116 1.422847
H 6.163276 -2.411470 -0.351734
H 7.366385 -1.180230 0.041781
H 6.930973 -2.404115 1.239830


%chk=000214002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214002

0 1
O 3.396255 1.692751 -0.895233
O 0.600675 1.234397 1.518455
O 0.592674 2.121151 -3.104469
N -0.804799 0.768987 -1.732769
N 0.957574 1.778830 -0.759180
C -0.937018 0.399087 -0.303841
C 0.280474 1.176459 0.307554
C -0.686960 -1.106871 -0.056267
C -2.295342 0.879009 0.247250
C 0.267784 1.599738 -2.014370
C 2.227704 2.510573 -0.644510
C -0.148927 -1.938191 -1.067117
C -2.434569 2.099099 0.951878
C -0.936077 -1.647568 1.230671
C -3.454416 0.112453 -0.040247
C 3.655387 0.670056 0.145436
C 0.116791 -3.301399 -0.801882
C -3.711999 2.547607 1.356531
C -0.665051 -3.006509 1.494957
C -4.730577 0.564177 0.357537
C 5.037048 0.075199 -0.133522
C -0.141465 -3.840427 0.478360
C -4.863894 1.786106 1.057422
C 5.400168 -1.050539 0.863413
C 6.789229 -1.661824 0.579522
H -1.536355 0.595138 -2.420301
H 2.242924 3.283416 -1.427915
H 2.254005 2.950109 0.372927
H 0.062221 -1.520319 -2.057104
H -1.550863 2.692630 1.206782
H -1.332234 -1.001189 2.020797
H -3.354841 -0.847760 -0.560584
H 2.873827 -0.116854 0.100273
H 3.608474 1.142303 1.150284
H 0.527129 -3.937954 -1.593707
H -3.806413 3.489433 1.908095
H -0.859590 -3.414426 2.492970
H -5.617131 -0.037267 0.128331
H 5.052736 -0.319078 -1.168222
H 5.794001 0.881720 -0.086575
H 0.065840 -4.896531 0.683854
H -5.853283 2.136432 1.371498
H 5.376103 -0.651449 1.897907
H 4.628563 -1.845756 0.817943
H 6.829784 -2.096484 -0.436945
H 7.581701 -0.892832 0.646480
H 7.032636 -2.462933 1.301232


