%chk=000225945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225945

0 1
O 1.952198 -1.256590 0.158321
O 0.048649 3.488058 -0.723411
O 3.754983 -0.025544 -0.442725
O -3.225106 -0.919160 1.249494
O -1.752703 -1.858890 -0.190806
N 0.803880 1.482512 0.130970
C 1.932382 0.954740 0.931188
C 2.828256 2.185550 1.223299
C 2.159443 3.386844 0.538422
C 0.885842 2.869014 -0.105464
C -0.290741 0.616530 -0.337566
C 2.693910 -0.111337 0.123365
C -1.332016 0.359746 0.765945
C -2.068170 -0.923900 0.510142
C 2.411192 -2.420081 -0.622191
C 1.231619 -3.363401 -0.566736
C -4.119340 -2.074321 1.147214
C -4.903612 -2.003231 -0.145513
H 1.559605 0.476796 1.873887
H 2.929255 2.344782 2.310215
H 3.855508 2.029748 0.832206
H 1.923404 4.200029 1.249995
H 2.811701 3.839865 -0.234581
H 0.130657 -0.360450 -0.694173
H -0.776754 1.111960 -1.213383
H -2.042819 1.212376 0.845539
H -0.852270 0.303280 1.767800
H 3.318212 -2.802241 -0.126313
H 2.654148 -2.069788 -1.640118
H 1.271795 -4.108458 -1.369300
H 1.169188 -3.894680 0.390571
H 0.273153 -2.817104 -0.673335
H -4.744759 -1.929487 2.047274
H -3.514308 -2.994328 1.229474
H -4.250896 -2.162354 -1.017257
H -5.381765 -1.023287 -0.274583
H -5.690718 -2.765696 -0.180665


%chk=000225945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225945

0 1
O 2.146530 -1.318690 0.379891
O -0.407717 3.553629 -0.224415
O 3.302684 0.030087 -1.136003
O -3.235328 -0.987938 1.167419
O -1.732315 -2.051574 -0.266769
N 0.730600 1.528842 0.173750
C 2.015664 1.047209 0.736709
C 2.915442 2.316898 0.715988
C 1.924938 3.505948 0.703962
C 0.616466 2.922640 0.156024
C -0.373385 0.643772 -0.207546
C 2.585493 -0.097447 -0.119812
C -1.014474 -0.073141 1.014822
C -1.993275 -1.137863 0.555952
C 2.496026 -2.548361 -0.410283
C 1.536432 -3.647772 0.032074
C -4.299542 -1.971667 0.780924
C -5.036007 -1.499535 -0.475241
H 1.865886 0.655608 1.762359
H 3.604903 2.333337 1.575129
H 3.513855 2.301199 -0.210878
H 1.728317 3.906406 1.716294
H 2.254579 4.348873 0.076003
H -0.023713 -0.118946 -0.926429
H -1.119856 1.283197 -0.711098
H -1.517228 0.647807 1.677942
H -0.216614 -0.590767 1.580752
H 3.553610 -2.786507 -0.195834
H 2.402015 -2.304671 -1.483249
H 1.760434 -4.576999 -0.523481
H 1.643172 -3.858173 1.110435
H 0.491109 -3.359469 -0.172888
H -4.957080 -1.997454 1.664272
H -3.825725 -2.956781 0.625090
H -4.359341 -1.489567 -1.345976
H -5.450706 -0.487076 -0.331639
H -5.872846 -2.187553 -0.697049


