%chk=000181325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181325

0 1
O 0.650759 1.190519 1.315860
O 0.093959 -3.441653 1.404876
O 6.053729 -1.224508 -0.022780
O 6.338780 1.302432 -1.488691
O -5.776208 1.644774 0.820229
O -6.543606 0.402555 -1.730418
C 0.816318 -1.166904 0.823596
C -0.534691 -0.629611 0.268341
C 1.565388 0.075673 1.380093
C -0.407030 0.903976 0.368326
C -1.784972 -1.151493 0.993054
C 0.722027 -2.252621 1.903089
C 2.833453 0.387117 0.612106
C -3.048096 -0.729297 0.295389
C 3.864805 -0.562315 0.581539
C 2.987707 1.616552 -0.040867
C -3.837458 0.298240 0.830144
C -3.438172 -1.361717 -0.897641
C 5.048801 -0.270015 -0.103553
C 4.172766 1.918982 -0.715418
C 5.209623 0.980373 -0.742992
C -5.015344 0.681247 0.176699
C -4.617608 -0.992878 -1.545701
C -5.413882 0.024891 -1.008343
C 6.528463 -1.709722 -1.309197
C 7.542268 1.452704 -0.684542
C -6.119871 2.799684 0.006126
C -7.790214 0.046239 -1.070077
H 1.384151 -1.591347 -0.040322
H -0.612651 -0.924395 -0.806065
H 1.791459 0.009260 2.469957
H -1.287055 1.412616 0.794610
H -0.129138 1.368287 -0.591329
H -1.783316 -0.811848 2.048814
H -1.742924 -2.266948 1.048466
H 0.068161 -1.965431 2.749565
H 1.722731 -2.518397 2.292294
H 3.772466 -1.522772 1.084528
H 2.175086 2.346897 -0.000244
H 0.596886 -3.809416 0.651817
H -3.559423 0.806106 1.752841
H -2.822730 -2.156567 -1.315204
H 4.306527 2.875838 -1.219152
H -4.933791 -1.484142 -2.465306
H 5.748953 -2.324571 -1.766476
H 7.396705 -2.312457 -1.022693
H 6.811885 -0.876907 -1.963707
H 7.439840 2.331793 -0.042530
H 7.726900 0.548111 -0.094525
H 8.313189 1.604313 -1.447200
H -6.842694 3.322606 0.641102
H -5.219440 3.399710 -0.151018
H -6.564455 2.494213 -0.948445
H -7.832816 0.490328 -0.069570
H -7.880438 -1.042270 -1.025316
H -8.540259 0.480865 -1.738741


%chk=000181325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181325

0 1
O 0.411777 1.142493 0.684880
O 0.263392 -3.644136 0.977258
O 6.082806 -1.215285 -0.116174
O 6.684540 1.552355 -0.878061
O -5.712777 1.967128 0.586447
O -6.975486 0.083318 -1.268550
C 0.809269 -1.258620 0.453934
C -0.619929 -0.871163 -0.065567
C 1.403537 0.087586 1.011529
C -0.400899 0.610327 -0.433734
C -1.758063 -1.046864 0.982592
C 0.852635 -2.395873 1.490123
C 2.791729 0.448372 0.470226
C -3.132242 -0.731731 0.408768
C 3.815304 -0.527887 0.386683
C 3.084112 1.778279 0.080063
C -3.813631 0.465088 0.740039
C -3.752177 -1.629508 -0.500914
C 5.105918 -0.190713 -0.070937
C 4.379190 2.125869 -0.361333
C 5.403145 1.157969 -0.421873
C -5.079508 0.763499 0.190535
C -5.024828 -1.349514 -1.040300
C -5.705521 -0.162773 -0.691096
C 6.631388 -1.487405 -1.465561
C 7.761031 1.418935 0.131578
C -5.946891 2.930874 -0.513622
C -8.090955 0.141050 -0.295037
H 1.411542 -1.566125 -0.425944
H -0.874245 -1.466938 -0.961826
H 1.442411 0.064526 2.120137
H -1.325090 1.207261 -0.471668
H 0.153093 0.713288 -1.390559
H -1.549763 -0.390692 1.848347
H -1.742185 -2.094745 1.334153
H 0.245885 -2.148944 2.376542
H 1.895136 -2.569985 1.832304
H 3.641310 -1.573255 0.665927
H 2.288075 2.526326 0.134182
H 0.797741 -3.953489 0.202618
H -3.371031 1.190891 1.431855
H -3.245723 -2.565422 -0.766018
H 4.624337 3.152579 -0.652587
H -5.521808 -2.045143 -1.724530
H 5.833078 -1.871793 -2.129056
H 7.401005 -2.260370 -1.318439
H 7.073456 -0.575214 -1.904535
H 7.565861 2.094715 0.985816
H 7.841098 0.376725 0.490533
H 8.685292 1.722982 -0.383037
H -6.486410 3.773705 -0.055194
H -4.979969 3.281577 -0.922554
H -6.550318 2.474824 -1.319201
H -7.910012 0.918285 0.469304
H -8.217937 -0.843019 0.195256
H -8.986191 0.382478 -0.888324


