%chk=000197446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197446

0 1
O -2.070117 0.448809 -0.910188
O 2.037549 -0.974199 -0.050636
O 1.218987 1.674159 0.153375
O 1.121845 0.172746 -2.540231
O -1.261764 -0.640492 1.516085
O -1.144153 -2.283187 -1.092368
C -0.707692 0.891218 -1.118790
C 0.674960 -1.374324 0.230034
C -0.068175 1.082637 0.276167
C -0.108009 -0.254818 -1.969888
C 0.026657 -0.244432 1.063453
C 0.083892 -1.573531 -1.187119
C -3.057091 1.509843 -0.753598
C 3.019972 -1.340533 0.961857
C -4.246535 0.821166 -0.143014
C 4.208148 -0.470935 0.655478
C -5.375838 0.541916 -0.925492
C 5.341374 -1.020059 0.039167
C -4.226055 0.457630 1.211868
C 4.182491 0.892089 0.986848
C -6.484169 -0.086037 -0.349597
C 6.448433 -0.210245 -0.231040
C -5.334896 -0.173534 1.780811
C 5.290106 1.697336 0.710535
C -6.465674 -0.443086 1.002399
C 6.424783 1.147113 0.104707
H -0.667174 1.841533 -1.694217
H 0.634922 -2.335190 0.787684
H -0.643148 1.836853 0.865024
H -0.759170 -0.435411 -2.863104
H 0.595573 -0.087558 2.011035
H 0.740633 -2.268521 -1.770315
H 1.869616 1.010748 -0.226232
H 1.846884 0.167152 -1.858800
H -1.907976 -0.657239 0.748167
H -1.872984 -1.685028 -0.774616
H -3.255504 1.919522 -1.760707
H -2.654501 2.306327 -0.102794
H 3.222820 -2.420277 0.841503
H 2.610865 -1.150983 1.970171
H -5.391751 0.807759 -1.981445
H 5.361319 -2.073951 -0.234491
H -3.340927 0.656808 1.821136
H 3.294322 1.328438 1.450587
H -7.361975 -0.300834 -0.957517
H 7.329277 -0.637918 -0.707967
H -5.315990 -0.457897 2.832413
H 5.267218 2.756293 0.965818
H -7.329537 -0.933680 1.448341
H 7.287662 1.776302 -0.108297


%chk=000197446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197446

0 1
O -2.217226 0.381997 -1.062117
O 2.189003 -1.096105 -0.190952
O 1.025915 1.908295 0.106397
O 1.304415 0.288874 -2.209431
O -1.045877 -0.780476 1.716843
O -1.340100 -2.053193 -0.793379
C -0.815005 0.849909 -1.131255
C 0.787978 -1.374308 0.196515
C -0.174643 1.068521 0.269820
C -0.048729 -0.234330 -1.930692
C 0.154748 -0.240795 1.052944
C 0.013918 -1.565996 -1.132669
C -3.224759 1.438042 -0.775415
C 3.200551 -1.343958 0.872739
C -4.452726 0.795846 -0.169943
C 4.415714 -0.482038 0.613167
C -5.695782 0.837005 -0.846411
C 5.668192 -1.072780 0.318035
C -4.366753 0.154725 1.094152
C 4.309572 0.932499 0.677168
C -6.845704 0.251432 -0.268084
C 6.807218 -0.264803 0.095569
C -5.513455 -0.435197 1.667588
C 5.445552 1.738283 0.449078
C -6.755847 -0.386075 0.990039
C 6.697279 1.142673 0.160688
H -0.761910 1.805677 -1.690854
H 0.735208 -2.318495 0.775483
H -0.859161 1.648040 0.914412
H -0.558094 -0.402904 -2.896486
H 0.841787 0.051620 1.867080
H 0.516696 -2.341119 -1.738380
H 1.451787 1.634119 -0.758110
H 1.967408 -0.249435 -1.668921
H -1.469687 -1.413557 1.065296
H -2.002066 -1.321953 -1.014188
H -3.463033 1.957370 -1.724199
H -2.772424 2.167022 -0.074371
H 3.456665 -2.421314 0.861921
H 2.740935 -1.097105 1.850055
H -5.765249 1.324680 -1.826706
H 5.753717 -2.165042 0.260285
H -3.402292 0.114138 1.616357
H 3.338173 1.394768 0.894689
H -7.804096 0.289117 -0.797656
H 7.772771 -0.730680 -0.130378
H -5.440834 -0.930316 2.642321
H 5.356891 2.829279 0.498248
H -7.645179 -0.842486 1.439022
H 7.578045 1.771030 -0.013117


