%chk=000183315.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183315

0 1
O 4.656740 -0.490337 0.460172
O 1.672360 2.981613 -1.367561
O 1.454221 1.130428 1.735492
O 0.710696 -1.695517 -1.844312
O 2.065102 -3.400083 -1.225414
N -1.803743 1.313253 0.211918
N 0.095525 -1.761324 1.268455
C 3.175567 1.250984 -0.517613
C 2.005011 0.240054 -0.445777
C 4.200205 0.918006 0.582926
C 2.695615 2.705543 -0.401066
C 2.580244 -1.141050 -0.549195
C 1.172109 0.368611 0.838388
C 5.502711 1.688396 0.492386
C -0.077152 -0.472431 0.897952
C 3.820854 -1.405955 -0.065014
C -1.356939 0.037073 0.602514
C -2.493740 -0.857953 0.665023
C -3.657353 -0.078581 0.300071
C -3.203774 1.261126 0.036774
C 1.812522 -2.214972 -1.183095
C -2.295093 -2.184295 1.036661
C -0.970096 2.517832 0.153438
C -5.017039 -0.385879 0.176236
C -0.984489 -2.587754 1.336893
C -4.101079 2.274233 -0.344621
C -5.899275 0.620338 -0.201120
C -5.442445 1.932342 -0.457097
C -0.194786 -2.658990 -2.443769
H 3.663674 1.114247 -1.517053
H 1.307870 0.433893 -1.310306
H 3.740508 0.968187 1.599820
H 3.523782 3.422545 -0.537649
H 2.184760 2.905401 0.565486
H 6.289258 1.179952 1.074509
H 5.880246 1.764055 -0.534385
H 5.402663 2.701393 0.899640
H 4.319914 -2.380985 -0.061107
H 2.014265 2.875191 -2.278255
H -3.126564 -2.881435 1.097367
H -0.404869 2.655620 1.096722
H -0.237289 2.455606 -0.681664
H -1.582992 3.419567 -0.008304
H -5.367301 -1.397038 0.374791
H -3.755809 3.283402 -0.544117
H -0.763525 -3.615889 1.646603
H -6.960399 0.402597 -0.302356
H -6.167409 2.692678 -0.750130
H -0.760800 -2.051390 -3.156278
H -0.834066 -3.062005 -1.651505
H 0.365906 -3.459898 -2.938475


%chk=000183315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183315

0 1
O 4.585165 -0.353694 1.008218
O 1.674202 2.565682 -1.860702
O 1.067800 1.263590 1.234475
O 1.610465 -2.300065 -2.149590
O 2.553428 -3.762736 -0.590709
N -2.040103 1.534427 0.305225
N -0.199847 -1.763697 0.171751
C 3.261674 1.087258 -0.583038
C 2.136718 0.008808 -0.600946
C 4.052604 1.034000 0.750248
C 2.745557 2.525314 -0.846883
C 2.772983 -1.344096 -0.308087
C 0.967307 0.353976 0.357248
C 5.284588 1.938238 0.800556
C -0.327024 -0.403427 0.236589
C 3.905479 -1.421363 0.460434
C -1.617931 0.197786 0.329472
C -2.783030 -0.654173 0.438328
C -3.941606 0.217228 0.525028
C -3.446430 1.562810 0.440909
C 2.304864 -2.585350 -0.954378
C -2.614947 -2.052440 0.418604
C -1.202861 2.722300 0.087214
C -5.330362 -0.018969 0.652144
C -1.303921 -2.558313 0.266893
C -4.319577 2.671909 0.487747
C -6.205884 1.084501 0.698526
C -5.700618 2.413513 0.617737
C 1.046663 -3.474058 -2.841281
H 3.964205 0.808023 -1.398397
H 1.687528 -0.050183 -1.608761
H 3.363102 1.254555 1.584275
H 3.584088 3.181964 -1.154496
H 2.276628 2.939741 0.057892
H 5.866490 1.723471 1.712868
H 5.937778 1.770665 -0.074638
H 4.988351 3.001914 0.826428
H 4.405270 -2.371442 0.668982
H 2.034990 2.260109 -2.731231
H -3.465379 -2.735700 0.509161
H -0.623629 2.967894 0.993626
H -0.491458 2.553510 -0.739693
H -1.851375 3.570166 -0.182960
H -5.720506 -1.040722 0.715869
H -3.952646 3.701489 0.437526
H -1.115458 -3.636909 0.241659
H -7.284187 0.923942 0.800765
H -6.399570 3.256240 0.661283
H 0.676334 -3.090241 -3.803249
H 0.219839 -3.898835 -2.245772
H 1.818551 -4.248206 -2.989869


