%chk=000186829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186829

0 1
O -0.468161 -1.713158 -0.163079
O -0.333994 1.072064 -1.993634
C 2.306606 0.470161 0.214368
C 3.855347 0.244453 0.214664
C 1.589998 -0.329583 1.318431
C 1.668620 0.110316 -1.141243
C -0.611471 -0.281130 0.014620
C 0.093237 -0.010938 1.361556
C 0.186022 0.392471 -1.139638
C 4.429361 0.681664 1.578342
C 4.212681 -1.230363 -0.036389
C 4.499482 1.117961 -0.881348
C -2.075632 0.104070 0.130049
C -2.569803 1.329946 -0.329720
C -2.945848 -0.790728 0.777481
C -1.043997 -2.251849 -1.371999
C -3.919494 1.654579 -0.151217
C -4.290934 -0.465131 0.953400
C -4.781142 0.761216 0.489222
H 2.135800 1.560280 0.399084
H 2.042037 -0.117346 2.305697
H 1.723353 -1.417808 1.143144
H 1.824063 -0.969391 -1.357443
H 2.156082 0.666595 -1.967247
H -0.392858 -0.629695 2.144151
H -0.077350 1.044136 1.651474
H 4.040631 0.069031 2.398611
H 5.520341 0.587597 1.595781
H 4.190344 1.725973 1.801909
H 3.849562 -1.575318 -1.009784
H 3.780454 -1.886875 0.726159
H 5.296826 -1.384024 -0.021414
H 4.261358 2.177792 -0.746351
H 5.590652 1.026123 -0.869797
H 4.163543 0.829520 -1.882969
H -1.913433 2.033345 -0.848658
H -2.557918 -1.745959 1.136778
H -2.099889 -1.978497 -1.467258
H -0.932419 -3.332129 -1.221967
H -0.476850 -1.916343 -2.244621
H -4.296018 2.608255 -0.517472
H -4.958744 -1.163993 1.453187
H -5.829946 1.016211 0.626839


%chk=000186829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186829

0 1
O -0.476577 -1.768353 -0.164388
O -0.353859 1.024039 -2.097784
C 2.329706 0.444194 0.213566
C 3.893907 0.237508 0.218677
C 1.576318 -0.304150 1.341924
C 1.668482 0.062855 -1.148518
C -0.640833 -0.291334 -0.006168
C 0.069337 0.026862 1.340821
C 0.172459 0.353957 -1.170566
C 4.469638 0.725618 1.578815
C 4.289067 -1.248981 0.010085
C 4.541507 1.096289 -0.904528
C -2.120182 0.098817 0.102666
C -2.599307 1.388553 -0.241348
C -3.020561 -0.827804 0.691167
C -1.013051 -2.313625 -1.424167
C -3.950547 1.734348 -0.011033
C -4.370649 -0.483795 0.916317
C -4.842739 0.801950 0.564904
H 2.167111 1.535700 0.366733
H 1.989369 -0.031747 2.330208
H 1.698238 -1.395325 1.216837
H 1.802989 -1.026106 -1.306722
H 2.119019 0.601499 -1.997721
H -0.454698 -0.546452 2.128266
H -0.089279 1.100630 1.562683
H 4.144169 0.089637 2.421184
H 5.575226 0.702180 1.554671
H 4.158352 1.766066 1.793047
H 3.939779 -1.636762 -0.964711
H 3.878069 -1.898003 0.804296
H 5.390257 -1.353507 0.029791
H 4.222860 2.154095 -0.833029
H 5.643900 1.068662 -0.818851
H 4.281614 0.728541 -1.913194
H -1.928749 2.116008 -0.704795
H -2.647953 -1.819945 0.970774
H -2.079347 -2.052041 -1.557582
H -0.901653 -3.405910 -1.336678
H -0.443295 -1.952844 -2.304102
H -4.306751 2.733206 -0.287868
H -5.050643 -1.214488 1.369182
H -5.890200 1.073459 0.738839


