%chk=000240510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240510

0 1
S 0.385296 0.270871 1.668498
S 0.208897 0.706946 -1.657316
P 1.241044 -0.155788 -0.236056
O -1.132795 3.359667 -0.935313
O 0.262811 2.690128 0.583240
O -6.103346 -0.204752 0.243856
O -5.688622 1.652686 -0.788851
N -0.767907 2.601067 -0.062469
N -5.362404 0.696231 -0.110909
C 1.254417 -1.992873 -0.333689
C 2.961668 0.436956 -0.025409
C -1.299348 0.441460 1.141095
C 1.684250 -2.750647 0.760345
C 4.035334 -0.457265 -0.036381
C 0.814278 -2.601777 -1.508677
C 3.163579 1.813616 0.100230
C -1.710483 1.513342 0.335988
C -2.211095 -0.531041 1.558490
C 1.678768 -4.145072 0.668001
C 5.335713 0.038405 0.097976
C 0.813620 -4.001393 -1.592704
C 4.470191 2.299813 0.235890
C -3.042227 1.599459 -0.095510
C 1.244204 -4.769245 -0.508695
C 5.551750 1.415209 0.235792
C -3.946215 0.618603 0.328407
C -3.544629 -0.443501 1.156924
H 2.021597 -2.288354 1.691559
H 3.894664 -1.534296 -0.154884
H 0.464403 -2.021981 -2.372510
H 2.329467 2.533034 0.094637
H -1.884174 -1.365520 2.186478
H 2.009867 -4.748324 1.512171
H 6.182222 -0.646261 0.090609
H 0.473178 -4.487382 -2.506813
H 4.638958 3.371888 0.336633
H -3.365707 2.421137 -0.757123
H 1.241209 -5.857797 -0.575904
H 6.567845 1.797238 0.339531
H -4.279276 -1.196390 1.470361


%chk=000240510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240510

0 1
S 0.589177 1.312238 0.562156
S 1.063618 0.152663 -3.120056
P 1.582657 -0.128773 -1.114014
O -2.519613 2.574952 3.480658
O -0.414114 2.608429 2.605656
O -5.845820 -0.505724 -0.856957
O -6.203229 0.657469 1.076393
N -1.666937 2.262835 2.565907
N -5.435217 0.191596 0.149841
C 1.228527 -1.845113 -0.468075
C 3.337565 0.347200 -0.707118
C -1.194259 0.986666 0.425801
C 1.039731 -2.096484 0.912736
C 3.988895 -0.159367 0.443586
C 1.157260 -2.900813 -1.409016
C 4.004177 1.235527 -1.583759
C -2.118759 1.470706 1.407843
C -1.740562 0.249937 -0.664835
C 0.792907 -3.416495 1.351448
C 5.319288 0.231084 0.714209
C 0.911854 -4.217517 -0.959999
C 5.333158 1.620832 -1.303492
C -3.503223 1.213858 1.329004
C 0.732290 -4.477542 0.418395
C 5.990437 1.122108 -0.154801
C -3.983865 0.469974 0.244230
C -3.113081 -0.011669 -0.762047
H 1.056401 -1.271820 1.633998
H 3.483481 -0.861723 1.113877
H 1.280986 -2.685024 -2.476203
H 3.486864 1.601448 -2.478179
H -1.087372 -0.095554 -1.471930
H 0.640900 -3.612268 2.418193
H 5.828502 -0.161039 1.600827
H 0.856710 -5.035050 -1.686493
H 5.852588 2.307057 -1.980484
H -4.175861 1.592117 2.103217
H 0.536092 -5.498798 0.762580
H 7.021552 1.422984 0.060351
H -3.522702 -0.572813 -1.605954


