%chk=000230446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230446

0 1
O -2.164730 0.746188 0.276557
O 0.344949 2.853065 0.825312
O 1.343407 2.168264 2.712340
O -0.803236 3.100753 -1.085363
O -2.802309 0.397202 -1.891771
C -0.052289 0.545904 1.424916
C -0.754556 0.856431 0.047125
C 1.016245 -0.580163 1.202891
C -0.189050 -0.057445 -1.078911
C 0.272897 -1.771330 0.622659
C 1.960507 -0.097411 0.114837
C -0.382113 -1.486441 -0.605347
C 1.309295 0.186621 -1.114575
C -1.027422 0.186567 2.534062
C 0.646909 1.863945 1.795035
C -0.466568 2.358920 -0.218393
C 0.197770 -3.038895 1.181386
C 3.331387 0.072454 0.240875
C -1.111774 -2.467031 -1.261249
C 2.032353 0.638061 -2.208872
C -0.537299 -4.032865 0.510462
C 4.062216 0.529254 -0.870687
C -1.183689 -3.750936 -0.692224
C 3.422327 0.807831 -2.077623
C -3.102874 0.555498 -0.740394
C -4.439004 0.585059 -0.089653
H 1.537761 -0.814536 2.153284
H -0.687206 0.149382 -2.055937
H -0.520116 0.071694 3.500885
H -1.811985 0.948074 2.651064
H -1.544409 -0.759249 2.310229
H 0.699566 -3.270302 2.118196
H 3.840105 -0.137345 1.180028
H -1.619811 -2.250029 -2.200646
H 1.540010 0.861632 -3.154254
H -0.596957 -5.032603 0.938662
H 5.139296 0.668169 -0.780867
H -1.748694 -4.530001 -1.202395
H 3.999463 1.164037 -2.930606
H -5.027022 1.445174 -0.454402
H -4.380252 0.667709 1.008482
H -5.011098 -0.326304 -0.329516


%chk=000230446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230446

0 1
O -2.225209 0.681750 0.273153
O 0.376032 2.892947 0.744669
O 1.454335 2.143557 2.671582
O -0.982731 3.052255 -1.141408
O -2.878514 0.475106 -1.990920
C -0.038200 0.576179 1.424041
C -0.768452 0.854308 0.056335
C 1.030563 -0.584395 1.207172
C -0.165268 -0.072070 -1.073628
C 0.264059 -1.780307 0.648463
C 1.993520 -0.101053 0.124640
C -0.383474 -1.502349 -0.584848
C 1.338729 0.195755 -1.099264
C -0.970915 0.244347 2.612452
C 0.700270 1.886084 1.732892
C -0.518229 2.353510 -0.241140
C 0.171201 -3.059294 1.226875
C 3.383378 0.073461 0.250968
C -1.128414 -2.496976 -1.243282
C 2.068927 0.672670 -2.203691
C -0.570254 -4.067888 0.561694
C 4.122437 0.546093 -0.861717
C -1.216067 -3.788365 -0.665441
C 3.469670 0.844621 -2.080819
C -3.164441 0.555685 -0.783090
C -4.552753 0.531568 -0.183939
H 1.533870 -0.798661 2.163999
H -0.655276 0.141500 -2.032065
H -0.365986 0.172054 3.533239
H -1.742500 1.017776 2.756477
H -1.479261 -0.716297 2.432972
H 0.672273 -3.276433 2.177329
H 3.886869 -0.143507 1.199516
H -1.631303 -2.272805 -2.190312
H 1.559775 0.910723 -3.144145
H -0.641511 -5.069961 0.998875
H 5.205398 0.686636 -0.775836
H -1.784787 -4.575139 -1.173169
H 4.050201 1.214233 -2.932916
H -4.801868 1.530770 0.215594
H -4.601647 -0.182904 0.654372
H -5.282446 0.259819 -0.960076


