%chk=000236311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236311

0 1
O 0.705728 0.605010 1.089661
O 0.585293 0.671268 -1.247932
C 2.048418 -1.007952 -0.197952
C 1.246074 -0.733759 1.095338
C 1.108457 -0.666917 -1.382311
C -0.123578 0.942507 -0.029943
C 3.295301 -0.098530 -0.271631
C 2.420367 -2.492983 -0.268662
C -0.306310 2.469760 0.022729
C -1.456401 0.205392 0.017130
C 4.323762 -0.344735 0.827027
C 1.023222 3.212041 -0.025841
C -2.146325 -0.070264 -1.170007
C -2.017459 -0.148304 1.250512
C -3.387997 -0.709990 -1.123446
C -3.259287 -0.787970 1.294878
C -3.944509 -1.070264 0.108421
H 0.420483 -1.451782 1.233083
H 1.886013 -0.714083 1.995680
H 1.638566 -0.608705 -2.348445
H 0.265802 -1.374620 -1.459941
H 2.941247 0.956695 -0.222494
H 3.776486 -0.212087 -1.261460
H 3.014124 -2.711832 -1.163607
H 3.024814 -2.793450 0.595505
H 1.537934 -3.141241 -0.290848
H -0.855654 2.725058 0.951427
H -0.949467 2.775929 -0.826889
H 4.747747 -1.353044 0.773828
H 5.155476 0.365202 0.745740
H 3.887145 -0.216765 1.825113
H 1.668374 2.910063 0.811211
H 1.566629 2.978399 -0.951737
H 0.880008 4.295265 0.024381
H -1.706158 0.218723 -2.126266
H -1.477428 0.080313 2.171302
H -3.923077 -0.924830 -2.046433
H -3.694166 -1.063483 2.253703
H -4.912058 -1.567535 0.143872


%chk=000236311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236311

0 1
O 0.742181 0.609497 1.129085
O 0.612192 0.691188 -1.290787
C 2.081420 -1.034291 -0.209955
C 1.260726 -0.774735 1.079321
C 1.133221 -0.689158 -1.390355
C -0.101239 0.951331 -0.028543
C 3.350109 -0.133628 -0.288434
C 2.439998 -2.537527 -0.285794
C -0.322939 2.476656 0.034001
C -1.444239 0.195354 0.018385
C 4.370457 -0.301120 0.857942
C 0.979130 3.299539 -0.007085
C -2.160155 -0.064240 -1.176273
C -2.024997 -0.155612 1.262176
C -3.430595 -0.680476 -1.129401
C -3.295154 -0.772321 1.310228
C -4.002201 -1.037567 0.114205
H 0.417808 -1.496484 1.137074
H 1.875564 -0.874759 1.988524
H 1.666532 -0.714536 -2.356452
H 0.288295 -1.410263 -1.421159
H 3.018798 0.920252 -0.329655
H 3.853421 -0.344688 -1.255207
H 3.033634 -2.753261 -1.194202
H 3.038306 -2.853861 0.587915
H 1.531203 -3.168789 -0.314808
H -0.886134 2.688050 0.962009
H -0.980086 2.747980 -0.813077
H 4.754865 -1.335278 0.928966
H 5.238999 0.362672 0.693488
H 3.934815 -0.028563 1.836347
H 1.631774 3.036232 0.842366
H 1.531159 3.107849 -0.942795
H 0.750134 4.379534 0.048708
H -1.710532 0.219216 -2.134728
H -1.471425 0.058090 2.183648
H -3.975112 -0.879097 -2.059645
H -3.734039 -1.042298 2.277590
H -4.988300 -1.514386 0.151074


