%chk=000297827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297827

0 1
O -0.778767 -1.380634 0.051028
O 2.792497 1.496027 0.649958
O -1.484199 -0.930732 -2.056275
O -3.383724 1.259272 3.303991
O 1.814802 2.452340 -1.203719
O -4.246226 1.949882 1.357885
N 0.733076 0.819878 0.064156
C -0.534040 0.874303 -0.683729
C -1.654703 1.605195 0.078831
C -1.979029 0.990445 1.440170
C -0.989065 -0.553282 -1.025488
C -1.258747 -2.763873 -0.037822
C 1.778599 1.671838 -0.273588
C -3.308531 1.462804 1.941996
C -2.676816 -2.801233 0.453162
C 4.050257 2.197001 0.369369
C 4.884995 1.381519 -0.574924
C -2.958695 -3.175770 1.774267
C -3.722727 -2.448844 -0.413319
C 5.892617 0.540689 -0.081965
C 4.656191 1.463873 -1.956807
C -4.282507 -3.203935 2.222868
C -5.043136 -2.475230 0.041003
C -5.324486 -2.853978 1.358265
C 6.674609 -0.204631 -0.969402
C 5.438465 0.715247 -2.839002
C 6.449627 -0.117220 -2.346898
H -0.355861 1.414956 -1.667263
H -2.572077 1.629301 -0.555751
H -1.364662 2.671207 0.205072
H -1.185153 1.219102 2.185468
H -1.996673 -0.130307 1.385644
H 0.791657 0.205595 0.876299
H -0.539934 -3.288233 0.618358
H -1.152681 -3.119600 -1.080842
H 3.820493 3.206254 -0.024050
H 4.471852 2.269526 1.390044
H -2.151280 -3.444420 2.453509
H -3.499169 -2.147196 -1.440663
H 6.066225 0.462490 0.989920
H 3.856233 2.107171 -2.336989
H -4.501291 -3.497589 3.248424
H -5.854174 -2.197994 -0.631839
H -6.355019 -2.875007 1.709950
H -4.258570 1.536911 3.685936
H 7.458414 -0.855625 -0.586158
H 5.258829 0.779861 -3.911247
H 7.059800 -0.698352 -3.036333


%chk=000297827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297827

0 1
O -0.926872 -1.661603 -0.454734
O 2.630163 0.892835 0.713327
O -2.277185 -0.719734 -2.112924
O -3.492022 1.985081 2.870413
O 1.669758 2.414011 -0.826068
O -3.219585 3.544804 1.173222
N 0.574536 0.455264 -0.150442
C -0.608638 0.687519 -0.986620
C -1.592377 1.736698 -0.380817
C -2.144538 1.316318 0.992569
C -1.357541 -0.616163 -1.271783
C -1.654700 -2.985115 -0.600642
C 1.620548 1.346221 -0.155915
C -2.980826 2.406358 1.631116
C -2.828978 -3.065417 0.346576
C 3.878063 1.730815 0.738090
C 4.886475 1.262283 -0.288906
C -2.670319 -3.624107 1.640478
C -4.103235 -2.578716 -0.047848
C 5.884951 0.318708 0.062011
C 4.844139 1.763542 -1.616297
C -3.764570 -3.690639 2.531123
C -5.196873 -2.644139 0.842950
C -5.030014 -3.199580 2.133621
C 6.825183 -0.122625 -0.895812
C 5.782987 1.322485 -2.574780
C 6.775760 0.379604 -2.217211
H -0.278603 1.092118 -1.962751
H -2.417662 1.892642 -1.097692
H -1.048185 2.693031 -0.297535
H -1.319964 1.069958 1.689616
H -2.769355 0.403978 0.929216
H 0.655580 -0.421955 0.366121
H -0.869810 -3.718106 -0.359366
H -1.963015 -3.073222 -1.656040
H 3.580664 2.779999 0.568462
H 4.245744 1.593967 1.767277
H -1.689387 -4.005546 1.949976
H -4.224363 -2.144478 -1.046688
H 5.923427 -0.071095 1.086862
H 4.065803 2.485754 -1.887565
H -3.633037 -4.123916 3.528652
H -6.176889 -2.266359 0.531648
H -5.879532 -3.250819 2.823708
H -4.032499 2.722689 3.264956
H 7.594419 -0.850347 -0.613907
H 5.743638 1.714903 -3.597106
H 7.506027 0.041095 -2.961042


