%chk=000294934.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294934

0 1
O -4.207693 2.207524 1.070029
O -3.736449 2.172011 -1.145502
O -1.883295 -1.605331 1.093729
O 2.258923 -2.434626 0.793233
O 1.828261 -2.929143 -1.405232
N -1.936358 0.033686 -0.490742
N 0.285005 -3.413195 0.300676
C -1.028077 2.085232 0.693776
C -2.216329 1.096788 0.490604
C -0.556327 2.708490 -0.620875
C 0.119847 1.372949 1.408831
C -3.439528 1.868702 -0.015082
C -1.749475 -1.287354 -0.077827
C -1.384610 -2.253110 -1.186047
C -0.866953 -3.586678 -0.618770
C -5.413609 2.978111 0.814657
C 1.471883 -2.910522 -0.243016
C 3.571901 -1.905060 0.427626
C 3.434260 -0.453735 0.061395
C 3.020004 -0.096971 -1.230989
C 3.716864 0.544269 1.004057
C 2.896225 1.250077 -1.577621
C 3.595343 1.891958 0.651191
C 3.186018 2.245914 -0.638132
H -1.409085 2.903510 1.360440
H -2.463803 0.618231 1.488542
H 0.104321 3.562923 -0.431172
H -1.392632 3.071395 -1.232500
H 0.018568 1.999483 -1.228753
H 0.548048 0.563869 0.801818
H 0.941393 2.065970 1.627271
H -0.199621 0.926915 2.358099
H -1.782753 0.337555 -1.449883
H -2.270761 -2.440575 -1.828755
H -0.613956 -1.821459 -1.863394
H -0.560460 -4.252800 -1.459859
H -1.671498 -4.103369 -0.044189
H 0.032092 -3.101757 1.250635
H -5.953290 2.900124 1.764651
H -5.977416 2.536480 -0.013966
H -5.129746 4.009602 0.587322
H 4.137048 -2.077185 1.363227
H 3.997740 -2.514025 -0.393525
H 2.790454 -0.881183 -1.959727
H 4.028238 0.273889 2.012004
H 2.579970 1.524899 -2.582475
H 3.821778 2.665926 1.382522
H 3.094337 3.295494 -0.911601


%chk=000294934-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294934

0 1
O -5.628631 1.768412 1.480968
O -5.332827 1.104199 -0.731709
O -1.276293 -0.511656 1.110889
O 2.794766 -2.404975 0.725476
O 2.283840 -3.173649 -1.452986
N -2.651251 0.692825 -0.324710
N 0.671559 -2.189921 -0.052117
C -2.868801 2.858097 1.006918
C -3.369418 1.388785 0.750635
C -3.055982 3.761685 -0.233016
C -1.397979 2.850813 1.477520
C -4.857457 1.383311 0.395663
C -1.667396 -0.243439 -0.073075
C -1.068195 -0.917969 -1.314216
C -0.450590 -2.297885 -0.987272
C -7.094338 1.841814 1.245256
C 1.929353 -2.632560 -0.367114
C 4.225368 -2.787824 0.496104
C 5.031251 -1.643365 -0.083620
C 5.099161 -1.452048 -1.488641
C 5.728144 -0.749815 0.768752
C 5.848567 -0.382968 -2.027732
C 6.478069 0.320201 0.230793
C 6.540162 0.505223 -1.170126
H -3.503794 3.244102 1.829139
H -3.210680 0.812841 1.681649
H -2.721224 4.789840 -0.006243
H -4.110679 3.815746 -0.560872
H -2.450127 3.394914 -1.082742
H -0.729140 2.480376 0.679700
H -1.078057 3.875938 1.739852
H -1.255104 2.201800 2.359105
H -3.048672 0.774729 -1.265096
H -1.840894 -1.034301 -2.098992
H -0.278300 -0.260306 -1.726687
H -0.066561 -2.766309 -1.909110
H -1.230915 -2.959570 -0.563583
H 0.482971 -1.733286 0.846026
H -7.512736 2.183638 2.201538
H -7.482376 0.846662 0.972253
H -7.313669 2.554694 0.433159
H 4.572820 -3.060025 1.505598
H 4.238849 -3.668992 -0.168567
H 4.548176 -2.136773 -2.143135
H 5.679195 -0.891954 1.855551
H 5.896345 -0.243774 -3.113775
H 7.014102 1.004003 0.898744
H 7.124185 1.332615 -1.589454


