%chk=000188341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188341

0 1
O -2.994838 0.108166 0.610554
O 1.546276 -0.930713 0.446122
O 0.169341 3.496409 -0.766046
O 2.633647 2.867691 -0.803070
O 3.423552 -2.895890 0.826117
C -4.210219 0.970128 0.403340
C -1.756213 0.552664 0.332934
C -0.717101 -0.390199 0.522348
C -1.502101 1.880086 -0.099569
C 0.583793 0.045124 0.248687
C 0.912597 1.351786 -0.180103
C -3.881585 2.369311 -0.023605
C -0.164165 2.252809 -0.349761
C -2.628457 2.780403 -0.257224
C -1.012145 -1.796963 0.961620
C -4.969733 0.196847 -0.669040
C -4.867742 0.922006 1.777543
C 2.301309 1.760405 -0.439442
C 3.301620 0.671626 -0.212557
C 2.878789 -0.588507 0.206066
C -1.055730 -2.728050 -0.215077
C 4.675161 0.887294 -0.415376
C 3.799910 -1.642088 0.421033
C -2.157039 -3.332835 -0.685780
C 5.589487 -0.144383 -0.201470
C 5.163863 -1.412876 0.215753
C -2.089821 -4.251245 -1.869200
C -3.519491 -3.154739 -0.090180
H -4.743549 3.023297 -0.133524
H -2.405130 3.803144 -0.571805
H -0.229649 -2.138262 1.674789
H -1.964003 -1.812485 1.535922
H -6.046033 0.388980 -0.634017
H -4.614786 0.444325 -1.677700
H -4.811047 -0.891602 -0.538317
H -4.272819 1.467599 2.522531
H -5.870465 1.361980 1.764028
H -4.956694 -0.111618 2.138240
H -0.088725 -2.870275 -0.696687
H 5.006551 1.876967 -0.742999
H -0.628977 4.093253 -0.869413
H 6.653740 0.032831 -0.360712
H 5.872512 -2.223998 0.382937
H -1.072411 -4.361158 -2.265875
H -2.446430 -5.257216 -1.610367
H -2.716545 -3.880308 -2.691514
H -3.810225 -2.084616 -0.093259
H -4.295920 -3.708721 -0.628748
H -3.544758 -3.492300 0.954538
H 2.432699 -2.957284 0.930331


%chk=000188341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188341

0 1
O -3.021629 0.238364 0.893601
O 1.578200 -0.878272 0.436095
O 0.109185 3.645270 -0.702814
O 2.705941 2.939380 -0.896306
O 3.385492 -2.914701 0.708051
C -4.205678 1.022501 0.348893
C -1.738642 0.638856 0.521172
C -0.708401 -0.315497 0.647863
C -1.489044 1.985912 0.116229
C 0.593216 0.119941 0.307938
C 0.926938 1.436854 -0.149037
C -3.879974 2.507390 0.371902
C -0.166056 2.357702 -0.246208
C -2.597512 2.940097 0.209397
C -0.991738 -1.745019 1.092613
C -4.462803 0.520243 -1.090612
C -5.354163 0.659359 1.301161
C 2.330723 1.793453 -0.497134
C 3.324092 0.686655 -0.343365
C 2.913926 -0.582237 0.108067
C -1.116875 -2.697691 -0.090188
C 4.697548 0.880888 -0.645512
C 3.820085 -1.662155 0.263597
C -2.194041 -3.460962 -0.433971
C 5.608953 -0.180539 -0.493128
C 5.177308 -1.454407 -0.039735
C -2.139841 -4.368947 -1.653624
C -3.509348 -3.498502 0.325062
H -4.709685 3.207390 0.518476
H -2.389803 4.018386 0.238255
H -0.163558 -2.082494 1.745428
H -1.908393 -1.751323 1.701673
H -5.345705 1.028694 -1.518755
H -3.596405 0.730581 -1.741067
H -4.647084 -0.568712 -1.084494
H -5.128424 0.990873 2.328461
H -6.289557 1.144103 0.968742
H -5.510232 -0.432996 1.309566
H -0.224292 -2.751895 -0.731939
H 5.006242 1.870772 -0.993778
H -0.733031 4.139866 -0.874483
H 6.667957 -0.029963 -0.725927
H 5.876457 -2.286959 0.081356
H -1.156451 -4.329413 -2.153091
H -2.341905 -5.422440 -1.374877
H -2.913755 -4.084541 -2.394637
H -3.577334 -2.727622 1.109026
H -4.358975 -3.352390 -0.371804
H -3.659420 -4.488985 0.799485
H 2.407792 -2.888066 0.877375


