%chk=000298359.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298359

0 1
O 2.126547 1.043248 0.944569
O 2.203837 0.959733 -2.301109
O 2.667151 -2.004708 -0.546175
O 5.485291 -0.104087 1.371379
O -5.564992 -0.260613 -0.745705
N -0.096294 0.552702 0.445157
N -1.600668 -0.312613 1.909898
N -1.394730 0.733018 -1.642661
N -4.240486 -1.388785 1.313613
N -4.213559 0.086043 -0.621042
C 1.695828 0.133384 -1.257791
C 1.177400 1.063386 -0.121738
C 2.911135 -0.613286 -0.651098
C 3.152739 0.024634 0.734889
C 4.485429 0.778606 0.865089
C -1.314563 0.415378 -0.255538
C -0.331918 0.103958 1.770494
C -2.228281 -0.128176 0.665339
C -3.642536 -0.458961 0.446464
H 0.925260 -0.565726 -1.651255
H 1.072670 2.133119 -0.424179
H 3.792624 -0.565022 -1.334674
H 3.030707 -0.708238 1.563864
H 4.412085 1.564328 1.647762
H 4.815208 1.240937 -0.080892
H 1.517842 1.075538 -3.000098
H 1.885443 -2.200950 0.019110
H 0.432889 0.132693 2.536433
H 5.713844 -0.788875 0.706691
H -1.613208 1.724666 -1.777253
H -2.154291 0.198147 -2.086767
H -3.801686 -1.525917 2.217542
H -5.252781 -1.394192 1.339501
H -5.853936 0.306929 -1.530820


%chk=000298359-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298359

0 1
O 2.166052 1.209285 1.022038
O 2.620872 0.929851 -2.050934
O 1.871461 -1.949270 0.141631
O 5.628420 -0.217545 0.706532
O -5.450815 -0.659209 -0.935385
N -0.100124 0.641172 0.511893
N -1.512381 -0.577535 1.811962
N -1.542244 1.071740 -1.457802
N -4.243541 -1.263777 1.293354
N -4.037307 -0.193974 -0.860098
C 1.732645 0.207225 -1.134354
C 1.175561 1.166634 -0.036943
C 2.613378 -0.776788 -0.314591
C 3.171561 0.102079 0.832036
C 4.539777 0.756150 0.550207
C -1.313478 0.573111 -0.180933
C -0.268699 -0.072722 1.722006
C -2.172452 -0.189194 0.634632
C -3.551695 -0.564380 0.335503
H 0.925726 -0.323960 -1.668889
H 1.023456 2.194414 -0.415127
H 3.408312 -1.184356 -0.958137
H 3.224346 -0.471170 1.774918
H 4.728246 1.522683 1.317772
H 4.540254 1.232394 -0.448926
H 2.102569 1.279965 -2.816832
H 1.131516 -1.677756 0.751306
H 0.483195 -0.061305 2.505657
H 5.637251 -0.835972 -0.066631
H -1.155437 1.977089 -1.727510
H -2.495144 0.843491 -1.786024
H -3.764031 -1.502384 2.159332
H -5.200945 -1.548046 1.105256
H -5.716303 -0.387641 -1.847920


