%chk=000193310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193310

0 1
O -0.636045 2.084599 -1.189107
O -3.653846 2.007756 -0.252096
O -1.308115 -0.811169 -1.575558
O -4.230190 -2.956944 -0.143752
O -2.625090 -2.536278 1.367072
N -2.620444 0.177862 0.653361
C 1.995790 1.310792 0.141293
C 0.541112 1.106252 0.584956
C 2.850223 0.074555 0.449521
C -0.332336 2.307832 0.207616
C 4.307692 0.282018 0.016191
C 5.162611 -0.955239 0.320987
C -1.642854 2.410272 1.014491
C 6.621521 -0.750816 -0.111091
C -2.731926 1.553414 0.401754
C -3.350891 -0.769548 -0.212786
C 7.476670 -1.979637 0.189981
C -2.727464 -0.842248 -1.638418
C -3.307511 -2.135372 0.458244
H 2.020420 1.524690 -0.947628
H 2.426241 2.200877 0.638447
H 0.499649 0.919878 1.674241
H 0.137482 0.189464 0.093112
H 2.808549 -0.157542 1.531034
H 2.428903 -0.812258 -0.064971
H 0.226036 3.268809 0.279457
H 4.349133 0.509166 -1.066964
H 4.731985 1.167555 0.527084
H 5.121038 -1.187674 1.402375
H 4.740960 -1.841352 -0.191963
H -2.002779 3.462923 1.030433
H -1.473911 2.160148 2.080718
H 6.664547 -0.522533 -1.194171
H 7.045952 0.134331 0.401690
H -1.256641 2.761759 -1.532965
H -4.426976 -0.433431 -0.305272
H -1.774907 -0.206599 1.088159
H 7.486937 -2.212290 1.260838
H 8.515501 -1.825538 -0.122414
H 7.105205 -2.867883 -0.333872
H -2.960133 -1.810725 -2.124638
H -3.107760 -0.008848 -2.257355
H -0.978737 0.135627 -1.514445
H -4.237500 -3.875553 0.242210


%chk=000193310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193310

0 1
O -0.620017 2.111496 -1.109499
O -3.475470 2.074994 -0.600653
O -1.285085 -0.572150 -1.682839
O -3.755794 -3.149348 -0.431952
O -2.435334 -2.376447 1.318639
N -2.812177 0.207327 0.617976
C 1.928154 1.264385 0.124743
C 0.550200 1.228700 0.822257
C 2.867595 0.137771 0.608773
C -0.398296 2.340167 0.346603
C 4.248942 0.163843 -0.083281
C 5.198125 -0.954060 0.403553
C -1.769233 2.382317 1.117390
C 6.577892 -0.931579 -0.293063
C -2.792176 1.551994 0.343855
C -3.376738 -0.778386 -0.309482
C 7.521528 -2.049551 0.200635
C -2.727712 -0.662314 -1.747527
C -3.126496 -2.148399 0.298753
H 1.781605 1.185630 -0.968881
H 2.408137 2.248918 0.309326
H 0.687823 1.341232 1.917077
H 0.075204 0.241910 0.648731
H 3.007343 0.216722 1.707959
H 2.384797 -0.844283 0.425106
H 0.102740 3.322918 0.463414
H 4.108746 0.073242 -1.180558
H 4.727815 1.151037 0.088506
H 5.341544 -0.863017 1.500976
H 4.719716 -1.941501 0.234212
H -2.151078 3.416183 1.156393
H -1.619884 2.024481 2.152056
H 6.433548 -1.025117 -1.388882
H 7.054016 0.056536 -0.126325
H -1.388348 2.663730 -1.417638
H -4.467543 -0.640128 -0.435480
H -2.230904 -0.183466 1.367966
H 7.704424 -1.961967 1.288483
H 8.500931 -2.009907 -0.311038
H 7.083194 -3.048396 0.014685
H -2.978792 -1.575009 -2.311776
H -3.182744 0.217163 -2.239255
H -0.997493 0.381870 -1.525601
H -3.544604 -4.038438 -0.038540


