%chk=000203100.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203100

0 1
O -1.965911 -0.493423 0.385504
O -3.804434 1.724764 0.149344
O 1.892264 0.571345 -0.283392
O 6.154902 -0.530244 -1.098991
O 0.111324 2.323882 0.991189
O 2.275236 -1.038175 1.293131
N 4.012676 0.365167 0.571263
C -1.693173 0.813755 0.985057
C -0.153160 0.910228 0.982769
C -2.364353 1.918632 0.162750
C 0.472574 0.252292 -0.255287
C 4.469896 1.170807 -0.595920
C 5.076199 -0.540141 1.099933
C 5.105521 0.275383 -1.671570
C 5.701593 -1.379136 -0.024747
C -3.290887 -0.665367 0.007726
C -4.182861 0.421766 -0.129003
C 2.709447 -0.163281 0.574807
C -3.707893 -1.970854 -0.260275
C -5.507594 0.206648 -0.517852
C -5.033199 -2.177371 -0.658707
C -5.922813 -1.103549 -0.778687
H -2.099385 0.780454 2.021563
H 0.278953 0.474659 1.917232
H -2.252818 2.917605 0.628030
H -2.011678 1.944487 -0.881919
H 0.320752 -0.845032 -0.255740
H 0.129805 0.694850 -1.207968
H 5.218826 1.902374 -0.211207
H 3.620898 1.757080 -1.013761
H 4.653878 -1.192792 1.899316
H 5.845373 0.110314 1.577105
H 4.364891 -0.382567 -2.158627
H 5.650515 0.859819 -2.435421
H 6.638459 -1.873139 0.292599
H 4.998736 -2.129997 -0.426397
H 1.060311 2.481794 0.768750
H -3.008881 -2.797463 -0.152281
H -6.187883 1.050678 -0.611062
H -5.374440 -3.189232 -0.872193
H -6.952865 -1.286117 -1.081960


%chk=000203100-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203100

0 1
O -2.096103 -0.474370 0.426786
O -3.905421 1.719804 -0.250009
O 1.931032 0.755641 -0.361385
O 6.735683 -0.171383 -0.600150
O 0.056753 2.455160 0.991921
O 2.094321 -1.386638 0.614055
N 4.000169 -0.065008 0.250743
C -1.770768 0.947272 0.698564
C -0.237310 1.032625 0.755859
C -2.434944 1.837837 -0.361603
C 0.465643 0.528477 -0.513957
C 4.650592 1.152160 -0.281063
C 4.923390 -1.052637 0.852870
C 5.783416 0.746232 -1.247810
C 6.040315 -1.392475 -0.151880
C -3.470344 -0.690594 0.158063
C -4.352125 0.380151 -0.157927
C 2.650991 -0.331474 0.210317
C -3.953598 -2.012962 0.213187
C -5.718709 0.120076 -0.386157
C -5.319942 -2.271873 -0.030005
C -6.204310 -1.203707 -0.319402
H -2.180449 1.221788 1.690919
H 0.113841 0.413511 1.606594
H -2.198734 2.896578 -0.185630
H -2.129227 1.540102 -1.383545
H 0.263162 -0.543002 -0.671189
H 0.201366 1.127496 -1.399820
H 5.079673 1.731377 0.561450
H 3.901851 1.771888 -0.796150
H 4.344490 -1.949691 1.127227
H 5.370190 -0.617727 1.769010
H 5.351694 0.264244 -2.151752
H 6.377790 1.625097 -1.546520
H 6.816842 -2.017745 0.317483
H 5.612483 -1.925330 -1.028199
H 1.041489 2.564718 0.954379
H -3.250743 -2.816250 0.455934
H -6.377171 0.962122 -0.621679
H -5.692123 -3.300513 0.014627
H -7.266351 -1.400078 -0.499054


