%chk=000248224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248224

0 1
O -1.854625 2.318417 -1.076347
O -4.485243 -1.263703 0.182591
N 0.535376 0.776329 0.163744
N 3.434984 -0.162244 -0.062742
N -2.246109 -1.420863 0.687122
N 0.223927 -1.295363 1.094989
N -3.168519 0.534675 -0.444746
C 1.140084 -0.300114 0.791973
C 2.589550 -0.402547 1.152296
C -0.831586 0.470734 0.044419
C -0.990490 -0.817160 0.634298
C 3.366075 -1.336508 -0.999509
C 4.851531 0.151531 0.323049
C -1.910118 1.226783 -0.542203
C 1.157555 2.008392 -0.324304
C -3.382890 -0.749249 0.142248
C -2.405815 -2.757942 1.307760
C 3.803652 -0.906571 -2.399105
C 4.943460 1.556048 0.919457
C -4.382520 1.192146 -1.003258
H 2.826774 0.372291 1.922213
H 2.774138 -1.392741 1.637405
H 2.311022 -1.694521 -1.040733
H 3.974338 -2.198955 -0.651669
H 5.471794 0.107674 -0.602300
H 5.281419 -0.593963 1.026669
H 2.086654 1.775010 -0.886658
H 0.461514 2.559481 -0.993330
H 1.420148 2.674232 0.516837
H -1.786713 -3.501689 0.775375
H -3.465687 -3.074049 1.264089
H -2.082669 -2.728963 2.363619
H 3.239506 -0.026860 -2.736878
H 4.866291 -0.641632 -2.438457
H 3.631855 -1.709714 -3.124599
H 4.484765 2.298997 0.253899
H 4.436005 1.629906 1.887998
H 5.989113 1.847423 1.070908
H -4.113388 2.174201 -1.436022
H -5.135892 1.343776 -0.211122
H -4.831464 0.564004 -1.791873


%chk=000248224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248224

0 1
O -1.939337 2.434900 -1.020819
O -4.500342 -1.366204 0.092397
N 0.481910 0.872515 0.211324
N 3.439713 -0.157474 -0.054809
N -2.211376 -1.428138 0.609134
N 0.217961 -1.240958 1.042636
N -3.199282 0.511756 -0.436855
C 1.099900 -0.222475 0.801564
C 2.561156 -0.277598 1.146513
C -0.875090 0.542034 0.065575
C -0.997549 -0.756475 0.588205
C 3.306558 -1.346297 -0.950351
C 4.855386 0.111820 0.330293
C -1.976948 1.272247 -0.506291
C 1.113809 2.153893 -0.156261
C -3.369072 -0.801272 0.093016
C -2.302962 -2.791040 1.165907
C 3.763743 -1.063236 -2.392990
C 5.099838 1.554103 0.812881
C -4.428745 1.135875 -0.977990
H 2.810543 0.553349 1.832491
H 2.724062 -1.228887 1.704762
H 2.239591 -1.633253 -0.964732
H 3.863820 -2.223176 -0.535119
H 5.477815 -0.065032 -0.564169
H 5.204083 -0.613118 1.109371
H 2.113609 1.939704 -0.566601
H 0.475702 2.659780 -0.895743
H 1.205879 2.806695 0.730884
H -1.633831 -3.471185 0.612682
H -3.347526 -3.120338 1.068133
H -2.001488 -2.788132 2.226853
H 3.192136 -0.218412 -2.815524
H 4.838528 -0.813698 -2.453134
H 3.594411 -1.953381 -3.026494
H 4.789751 2.276324 0.037201
H 4.551045 1.789407 1.743085
H 6.174906 1.706774 1.020888
H -4.153931 2.135472 -1.344923
H -5.194268 1.208253 -0.188394
H -4.836309 0.521578 -1.797491


