%chk=000246738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246738

0 1
O -0.195602 1.700898 0.888002
O -0.961234 -1.015702 -1.207084
O -2.729233 1.895400 1.462371
N -1.110015 0.764481 0.295124
N 2.062373 2.215995 0.737695
C 2.098367 -0.319823 -1.307417
C 0.996923 0.303377 -0.530660
C 3.351718 -0.480462 -0.484175
C -0.381183 -0.146592 -0.615220
C 1.058226 1.370327 0.337599
C -2.459414 1.001846 0.697928
C 3.368085 -1.361899 0.608627
C 4.504225 0.254725 -0.797329
C -3.422509 0.038842 0.082488
C 4.525384 -1.505242 1.376207
C 5.661522 0.106502 -0.026306
C 5.674352 -0.770218 1.061850
C -3.704407 -1.168791 0.733334
C -4.065355 0.379529 -1.114344
C -4.646881 -2.040120 0.179877
C -5.005811 -0.499117 -1.659500
C -5.295541 -1.706100 -1.013914
H 2.295212 0.283351 -2.222067
H 1.770243 -1.317265 -1.687233
H 2.473592 -1.934969 0.851957
H 4.506660 0.930966 -1.650473
H 4.535194 -2.194225 2.219906
H 6.556764 0.672611 -0.279685
H 1.893656 2.833292 1.522031
H 3.022042 1.897379 0.623286
H 6.576281 -0.886997 1.659139
H -3.192826 -1.428097 1.659789
H -3.833935 1.318527 -1.616650
H -4.871246 -2.982555 0.677423
H -5.509120 -0.244129 -2.591074
H -6.026405 -2.390144 -1.444400


%chk=000246738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246738

0 1
O -0.240421 1.665272 0.799552
O -0.759204 -1.147235 -1.394779
O -2.770109 2.318987 0.377055
N -1.121301 0.664616 0.177632
N 2.042693 2.107161 0.877165
C 2.250556 -0.357117 -1.228393
C 1.067462 0.243248 -0.506151
C 3.504781 -0.499164 -0.365973
C -0.295468 -0.213299 -0.687867
C 1.052625 1.325859 0.358072
C -2.481928 1.122501 0.109684
C 3.471336 -1.234906 0.848873
C 4.728412 0.100855 -0.760073
C -3.507125 0.092198 -0.236078
C 4.631249 -1.373889 1.641380
C 5.893348 -0.035103 0.032777
C 5.848125 -0.773536 1.236735
C -3.335523 -1.295039 0.004613
C -4.741124 0.570860 -0.753253
C -4.387842 -2.191650 -0.275977
C -5.783745 -0.329785 -1.044981
C -5.608979 -1.714632 -0.805974
H 2.494008 0.244243 -2.127044
H 1.925791 -1.347196 -1.604344
H 2.529857 -1.698632 1.167319
H 4.772244 0.667341 -1.698791
H 4.589514 -1.951254 2.571876
H 6.830951 0.430459 -0.291202
H 1.814970 2.889471 1.487337
H 3.014680 1.836740 0.734203
H 6.748352 -0.883074 1.851457
H -2.392267 -1.671477 0.407074
H -4.861672 1.647949 -0.908263
H -4.253545 -3.261569 -0.085066
H -6.729554 0.042529 -1.453012
H -6.421047 -2.416132 -1.028483


