%chk=000245530.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245530

0 1
O -4.779584 -2.504385 -0.639321
O 5.141324 -2.001603 -0.668045
O 2.590354 2.083109 -0.492178
O -1.995774 3.156654 -1.043744
N -3.230865 -0.350509 0.431768
N 3.129563 -0.381877 0.546509
C -2.883737 1.100409 0.619847
C 1.939275 -0.105387 1.423211
C -3.110438 -0.747674 -1.010312
C -4.629858 -0.611708 0.910906
C 4.283772 -0.906452 1.348875
C 2.786233 -1.345041 -0.552249
C -1.422916 1.329906 0.342992
C 0.927050 0.738045 0.694960
C -3.452667 -2.238801 -1.141620
C -4.932793 -2.108787 0.738804
C 5.482581 -1.104452 0.406221
C 4.021137 -1.530131 -1.445829
C -0.438403 0.524153 0.922932
C 1.304850 1.794386 -0.169347
C -0.999729 2.383536 -0.496773
C 0.346368 2.631595 -0.767622
H -3.094252 1.367602 1.681708
H -3.505251 1.781718 -0.007842
H 2.291940 0.460856 2.318652
H 1.467536 -1.037326 1.807642
H -2.062049 -0.567104 -1.332856
H -3.764586 -0.147962 -1.679184
H -4.690328 -0.337572 1.985161
H -5.393019 -0.010438 0.371317
H 4.538732 -0.164889 2.135402
H 4.047503 -1.864193 1.861453
H 2.447287 -2.329841 -0.164625
H 1.943606 -0.919233 -1.141124
H -2.732245 -2.874656 -0.598157
H -3.531145 -2.559096 -2.194865
H -5.992251 -2.346133 0.937164
H -4.273241 -2.733687 1.366262
H 6.317614 -1.632375 0.900316
H 5.833702 -0.148075 -0.019770
H 4.305985 -0.594214 -1.958089
H 3.886511 -2.342312 -2.182103
H -0.760584 -0.298267 1.570000
H 0.675208 3.436383 -1.415820
H 3.245166 1.360760 -0.145266
H -1.631181 3.878470 -1.615361


%chk=000245530-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245530

0 1
O -4.878501 -2.669423 -0.311620
O 5.333955 -1.850456 -0.753152
O 2.729657 2.000616 -0.180538
O -1.868501 3.423507 -1.002264
N -3.340684 -0.292417 0.343205
N 3.120961 -0.458476 0.515156
C -2.960200 1.143344 0.299402
C 1.848697 -0.315242 1.308142
C -3.214855 -0.951249 -0.983044
C -4.705140 -0.500379 0.890322
C 4.243341 -1.023060 1.320703
C 2.925852 -1.254518 -0.738120
C -1.456954 1.347555 0.158513
C 0.866489 0.621401 0.620679
C -3.526215 -2.449814 -0.854423
C -4.999768 -2.005610 0.997512
C 5.526065 -1.060163 0.472554
C 4.232071 -1.276893 -1.545711
C -0.528518 0.428145 0.697913
C 1.361665 1.783534 -0.051850
C -0.932746 2.500842 -0.483041
C 0.457256 2.719479 -0.600197
H -3.306101 1.601800 1.248625
H -3.483142 1.692395 -0.518235
H 2.149633 0.105607 2.289753
H 1.382026 -1.306195 1.500573
H -2.182873 -0.813010 -1.354602
H -3.912815 -0.492846 -1.728415
H -4.764172 -0.040643 1.895687
H -5.486672 -0.022463 0.246594
H 4.400122 -0.382880 2.208977
H 3.994953 -2.051416 1.668690
H 2.623112 -2.295448 -0.486119
H 2.117015 -0.787068 -1.327820
H -2.774988 -2.929496 -0.189346
H -3.521360 -2.946385 -1.838868
H -6.037110 -2.187223 1.324532
H -4.292516 -2.470488 1.718669
H 6.344569 -1.554934 1.020037
H 5.831153 -0.023931 0.209227
H 4.494634 -0.246319 -1.869010
H 4.136333 -1.925135 -2.431415
H -0.940199 -0.461052 1.191627
H 0.862470 3.602648 -1.108293
H 3.180001 1.082789 0.094657
H -1.401599 4.174372 -1.445667


