%chk=000231143.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231143

0 1
O 2.681937 0.432549 -0.214414
O -1.040160 2.108502 -2.577619
O -2.989853 3.215054 0.693811
O -3.653977 -0.101731 -2.286228
O 3.126769 0.189242 2.014499
C -1.202007 1.977272 -0.220504
C -3.532657 2.043867 -1.292635
C -2.591769 2.491978 -0.195553
C -0.454175 1.754984 -1.395798
C -3.823471 0.556259 -1.281633
C -0.578299 1.706019 1.013564
C -4.336061 -0.059022 -0.022300
C 1.401156 0.952061 -0.110896
C 0.846599 1.233695 -1.366947
C 0.711043 1.187278 1.085329
C -4.865215 0.696784 1.033452
C -4.296686 -1.460979 0.078759
C 4.775505 -0.448704 0.351903
C -5.343905 0.056335 2.179742
C -4.771224 -2.097460 1.226887
C 3.493767 0.066963 0.877424
C -5.295738 -1.338032 2.278468
C 5.755910 -0.828353 1.286140
C 5.024750 -0.565127 -1.024292
C 6.981586 -1.322227 0.837875
C 6.254476 -1.060865 -1.463606
C 7.230517 -1.438322 -0.534962
H -3.107013 2.322002 -2.289961
H -4.487452 2.610202 -1.226633
H -1.135393 1.909322 1.936368
H 1.418143 1.051061 -2.270435
H 1.171098 0.973391 2.053845
H -4.903801 1.788645 0.974879
H -3.894010 -2.044768 -0.754161
H -5.753105 0.647519 2.998005
H -4.735177 -3.182976 1.301960
H -5.667691 -1.833481 3.175030
H 5.550660 -0.734172 2.356325
H 4.255723 -0.267602 -1.742311
H -0.490549 1.861630 -3.367995
H 7.744632 -1.617592 1.557808
H 6.452505 -1.153370 -2.531124
H 8.189910 -1.825034 -0.881668


%chk=000231143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231143

0 1
O 3.059817 0.433121 -0.276382
O -0.967302 1.746108 -2.510685
O -2.784577 2.788361 1.138254
O -3.236742 -0.515659 -1.673269
O 3.753707 0.376455 1.977803
C -0.969269 1.790252 -0.073338
C -3.440306 1.814638 -0.987033
C -2.402706 2.199466 0.081485
C -0.302813 1.503389 -1.303004
C -3.802595 0.312771 -0.901109
C -0.214862 1.648862 1.124340
C -4.823614 -0.134625 0.102980
C 1.732314 0.898811 -0.089900
C 1.036284 1.058946 -1.306144
C 1.117674 1.205190 1.150937
C -5.361761 0.737777 1.089040
C -5.251775 -1.491530 0.063238
C 5.289410 -0.283699 0.204368
C -6.313085 0.255690 2.014063
C -6.207012 -1.965414 0.981997
C 3.997184 0.197972 0.764613
C -6.741655 -1.090838 1.960435
C 6.338351 -0.556390 1.123021
C 5.500217 -0.473743 -1.187010
C 7.585592 -1.013670 0.654030
C 6.750790 -0.932343 -1.650444
C 7.794391 -1.202606 -0.733433
H -3.021671 1.981234 -1.989317
H -4.330670 2.442323 -0.825212
H -0.726709 1.890958 2.061251
H 1.560144 0.845927 -2.244570
H 1.658556 1.090948 2.088860
H -5.019083 1.775292 1.158415
H -4.817540 -2.148462 -0.697765
H -6.717413 0.928937 2.777618
H -6.536501 -3.009420 0.941646
H -7.485023 -1.458444 2.676993
H 6.154099 -0.403568 2.191460
H 4.687588 -0.262081 -1.886396
H -0.494875 1.332651 -3.274382
H 8.392605 -1.222742 1.364048
H 6.913607 -1.079527 -2.723422
H 8.764525 -1.558521 -1.097681


