%chk=000179572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179572

0 1
O -0.944707 1.370180 1.925000
O 1.951238 -0.889456 1.973048
O -5.258553 2.106779 -0.619672
O 6.151440 -1.878718 -0.676048
O -6.086734 0.042707 -1.450773
O 6.918284 0.115599 -1.709940
O -4.521507 -2.592642 -0.929987
C -0.001405 -0.445749 0.641844
C 0.941568 0.785925 0.554676
C -1.221102 0.023581 1.472952
C 2.198457 0.406906 1.377145
C 0.134998 1.947035 1.149864
C 0.832138 -1.539072 1.321782
C -2.512737 -0.007962 0.677537
C 3.455159 0.361913 0.532088
C -3.220204 1.193480 0.452245
C -2.976437 -1.238366 0.209727
C 4.152363 -0.864252 0.394456
C 3.912472 1.535413 -0.070741
C -4.393350 1.083954 -0.266540
C -4.184915 -1.330190 -0.526698
C 5.291365 -0.829611 -0.375697
C 5.085055 1.565209 -0.860026
C -4.884388 -0.151520 -0.761259
C 5.752643 0.369014 -0.997429
C -6.353756 1.479306 -1.367285
C 7.205201 -1.309343 -1.520452
C -5.768196 -2.714874 -1.670626
H -0.321187 -0.774029 -0.371349
H 1.215085 1.001256 -0.500876
H -1.347028 -0.534697 2.430771
H 2.355544 1.058262 2.268850
H 0.680398 2.567811 1.878918
H -0.321785 2.583221 0.372870
H 0.321931 -2.071716 2.140778
H 1.247528 -2.261297 0.598627
H -2.854782 2.140010 0.847676
H -2.430906 -2.160378 0.401553
H 3.796704 -1.767019 0.891604
H 3.363319 2.466576 0.063812
H 5.434840 2.481460 -1.325805
H -6.338125 1.886646 -2.386366
H -7.276239 1.620522 -0.789123
H 7.150581 -1.797263 -2.502222
H 8.155135 -1.392408 -0.976288
H -5.714661 -2.125981 -2.592506
H -6.606118 -2.385991 -1.046846
H -5.808024 -3.790429 -1.874069


%chk=000179572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179572

0 1
O -0.725154 1.430360 1.518278
O 1.757967 -0.953674 1.614670
O -5.667319 2.111062 0.148167
O 6.655653 -1.819539 0.188611
O -6.494293 0.181295 -0.986875
O 7.425984 -0.015060 -1.193077
O -4.661664 -2.382778 -1.325069
C -0.020340 -0.446546 0.112217
C 0.996376 0.742673 0.021433
C -1.128809 0.063786 1.098440
C 2.143089 0.352003 1.018016
C 0.158264 1.955356 0.459584
C 0.834341 -1.600221 0.662031
C -2.543224 0.056811 0.505510
C 3.534448 0.283143 0.376338
C -3.385889 1.190698 0.674654
C -3.020764 -1.098868 -0.153291
C 4.382313 -0.827017 0.655454
C 3.997525 1.346632 -0.440969
C -4.675452 1.089807 0.154956
C -4.340908 -1.185176 -0.680230
C 5.656610 -0.814655 0.088371
C 5.301133 1.345832 -1.009304
C -5.164621 -0.056210 -0.508012
C 6.111219 0.245068 -0.724272
C -6.904318 1.430343 -0.294273
C 7.859502 -1.231991 -0.454741
C -6.050944 -2.594347 -1.771515
H -0.452846 -0.686057 -0.873577
H 1.389544 0.859170 -1.002413
H -1.112113 -0.527311 2.033915
H 2.159787 1.049849 1.877040
H 0.737249 2.778142 0.910549
H -0.440914 2.346875 -0.389857
H 0.272886 -2.359092 1.231467
H 1.399993 -2.095705 -0.155382
H -3.022044 2.080037 1.191829
H -2.388850 -1.985134 -0.273195
H 4.026627 -1.639752 1.292459
H 3.344565 2.204471 -0.638591
H 5.654106 2.165652 -1.639929
H -7.437143 2.074343 -1.008731
H -7.511978 1.167844 0.594953
H 8.274004 -1.957304 -1.171626
H 8.581102 -0.937740 0.331056
H -6.352758 -1.833205 -2.510918
H -6.748696 -2.569510 -0.915463
H -6.046650 -3.594561 -2.229489


