%chk=000233049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233049

0 1
O 2.853332 0.030692 0.899629
O -3.190433 -0.021395 1.407550
O -2.110559 -0.028402 -2.023841
N -0.906132 -0.006729 -0.081229
C 0.413961 0.002616 -0.775660
C 1.177917 -1.239451 -0.382186
C 1.155313 1.261083 -0.391218
C 2.319228 -1.167114 0.427576
C 2.297721 1.215192 0.418945
C 0.757282 -2.509565 -0.807263
C 0.711844 2.520302 -0.825396
C 3.035814 -2.303611 0.835578
C 2.993672 2.367361 0.818654
C 1.454315 -3.653455 -0.417685
C 1.388110 3.679371 -0.444158
C -2.094897 -0.021951 -0.800920
C 2.586970 -3.549514 0.404493
C 2.522443 3.601820 0.378625
C -3.335511 -0.029905 0.004482
C -4.666362 -0.044386 -0.335330
C -5.409337 -0.045904 0.898299
C -4.488393 -0.031252 1.915142
H 0.227849 -0.003160 -1.892240
H -0.894866 -0.001849 0.936962
H -0.125790 -2.594682 -1.444603
H -0.172589 2.584891 -1.463233
H 3.914695 -2.193297 1.466927
H 3.874385 2.277481 1.450693
H 1.118992 -4.633233 -0.752612
H 1.035166 4.650500 -0.786102
H 3.122191 -4.450523 0.705596
H 3.041320 4.514491 0.673152
H -5.084486 -0.053464 -1.327810
H -6.480224 -0.056175 0.977064
H -4.519541 -0.026081 2.983120


%chk=000233049-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233049

0 1
O 3.027425 0.032324 0.766660
O -3.261412 -0.037548 1.393613
O -2.104946 0.002772 -2.081245
N -0.924650 -0.013932 -0.055013
C 0.417282 -0.001677 -0.689106
C 1.205020 -1.256637 -0.321880
C 1.178632 1.272962 -0.333455
C 2.430747 -1.189511 0.382058
C 2.405473 1.237971 0.370755
C 0.714060 -2.538085 -0.675027
C 0.661090 2.540441 -0.698787
C 3.145676 -2.353020 0.742958
C 3.096204 2.419372 0.720334
C 1.414405 -3.711075 -0.330484
C 1.337016 3.730898 -0.365572
C -2.088379 -0.010453 -0.806409
C 2.634387 -3.615220 0.386004
C 2.558795 3.667221 0.351435
C -3.342664 -0.023183 -0.024167
C -4.675932 -0.023754 -0.407606
C -5.468649 -0.039023 0.799887
C -4.583066 -0.046875 1.866661
H 0.191273 -0.008044 -1.773760
H -0.988577 -0.022132 0.966488
H -0.232771 -2.602103 -1.224189
H -0.286511 2.579530 -1.248949
H 4.086860 -2.245260 1.290186
H 4.039481 2.336406 1.268285
H 1.018328 -4.691049 -0.615546
H 0.920754 4.699668 -0.660015
H 3.185389 -4.520998 0.660879
H 3.090975 4.586798 0.617431
H -5.026349 -0.014307 -1.436963
H -6.554436 -0.043462 0.868451
H -4.697529 -0.058314 2.947087


