%chk=000206993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206993

0 1
O 0.417774 -0.305222 0.199225
O 0.222782 -0.105664 -2.070759
O 2.204719 -3.565910 1.729043
O 0.391760 -2.625283 1.026281
O -6.506584 1.165414 -0.125981
O -6.245406 -0.383702 1.362553
N 1.946138 1.902315 -0.689145
N 1.596796 -2.641861 1.216084
N -5.834847 0.345887 0.477223
C 2.585241 0.784312 -0.168787
C 3.994761 0.713863 -0.001959
C 1.786955 -0.347117 0.236912
C 2.383724 -1.470568 0.794947
C 4.583978 -0.454884 0.575037
C 3.804623 -1.509100 0.967863
C 4.765700 1.847324 -0.420994
C -1.733600 0.020309 -0.597016
C -0.308045 -0.095940 -1.001776
C 4.129660 2.941802 -0.945711
C 2.696579 2.932208 -1.060231
C -2.549449 0.942105 -1.271132
C -2.241584 -0.795860 0.423014
C -4.399195 0.229475 0.102034
C -3.894881 1.049449 -0.918659
C -3.589411 -0.693240 0.776533
H 5.667586 -0.487946 0.698465
H 4.239341 -2.410572 1.419150
H 5.851173 1.816092 -0.313578
H 4.680888 3.821086 -1.278239
H 2.175572 3.808187 -1.470978
H -2.134736 1.567793 -2.066338
H -1.577170 -1.507127 0.937738
H -4.556324 1.760539 -1.427319
H -4.011816 -1.321764 1.570001


%chk=000206993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206993

0 1
O 0.456133 -0.406355 0.361123
O 0.190943 -0.208460 -1.959692
O 2.460202 -3.829768 1.446785
O 0.682603 -3.115096 0.207746
O -6.703087 0.756385 -0.696899
O -6.297959 0.581473 1.540969
N 1.859080 1.904933 -0.205501
N 1.842948 -2.941247 0.738448
N -5.913943 0.584741 0.309309
C 2.584599 0.746676 0.019573
C 4.030143 0.706291 0.026251
C 1.851774 -0.468843 0.258917
C 2.550846 -1.657950 0.509778
C 4.704394 -0.527593 0.300733
C 3.979081 -1.687032 0.550633
C 4.719973 1.934233 -0.238803
C -1.749201 -0.001979 -0.487680
C -0.312028 -0.197056 -0.824181
C 3.984430 3.095175 -0.480349
C 2.552425 3.031995 -0.447567
C -2.655018 0.187408 -1.564122
C -2.216982 -0.001924 0.851634
C -4.465646 0.378658 0.030919
C -4.024307 0.380116 -1.310701
C -3.585298 0.189340 1.118347
H 5.799353 -0.550869 0.311490
H 4.467402 -2.638296 0.776157
H 5.815402 1.946104 -0.247533
H 4.477900 4.049208 -0.687844
H 1.958033 3.935316 -0.625866
H -2.267254 0.180574 -2.587363
H -1.507265 -0.152473 1.667932
H -4.747179 0.529021 -2.116462
H -3.979793 0.193693 2.137319


