%chk=000186939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186939

0 1
O -3.511249 -0.319409 0.175740
O 4.116426 0.645516 -0.781260
O 2.674644 -1.544159 -0.653292
O 4.407631 0.526286 1.470824
N 2.732885 0.776816 -0.591022
C -5.761155 0.296830 0.087643
C -6.837295 1.266389 -0.414683
C -4.377065 0.715257 -0.399885
C -8.225013 0.855153 0.069539
C -2.169526 -0.259135 -0.065859
C 0.590600 -0.383398 -0.373880
C -1.454219 -1.320718 0.537750
C -1.521951 0.727552 -0.826176
C -0.080713 -1.378372 0.370631
C -0.136334 0.652445 -0.975436
C 2.059957 -0.510095 -0.525988
C 6.301630 0.181951 -0.086556
C 4.900511 0.447240 0.374680
C 7.302738 1.003186 0.713204
H -5.979081 -0.737670 -0.248799
H -5.767704 0.245128 1.195775
H -6.612480 2.295352 -0.069697
H -6.826072 1.305454 -1.522283
H -4.058974 1.694763 -0.006374
H -4.278167 0.681737 -1.497529
H -8.992338 1.550112 -0.291343
H -8.285613 0.841385 1.164277
H -8.498502 -0.145904 -0.284691
H -1.995597 -2.070127 1.112086
H -2.072046 1.533473 -1.299281
H 0.496383 -2.196858 0.811944
H 0.379741 1.406034 -1.577282
H 6.399405 0.385339 -1.177676
H 6.500406 -0.909520 0.028156
H 2.545682 1.440239 0.169711
H 7.183553 0.842493 1.794998
H 8.332866 0.730981 0.450936
H 7.189238 2.079053 0.528596


%chk=000186939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186939

0 1
O -3.515528 -0.436548 0.297529
O 4.167055 0.742056 -1.097659
O 2.814778 -1.547544 -0.441378
O 4.353409 0.877420 1.251800
N 2.735397 0.744785 -0.925416
C -5.825381 0.277578 0.158814
C -6.849921 1.278196 -0.426129
C -4.401992 0.577814 -0.312630
C -8.289464 0.990749 0.050966
C -2.147922 -0.366143 0.025511
C 0.658436 -0.405291 -0.384445
C -1.352387 -1.372204 0.636519
C -1.541947 0.612314 -0.805538
C 0.033334 -1.391705 0.427661
C -0.145759 0.584395 -1.003749
C 2.140792 -0.487372 -0.566394
C 6.345726 0.367841 -0.152749
C 4.899701 0.681566 0.157237
C 7.303565 0.801946 0.973375
H -6.093716 -0.754209 -0.138406
H -5.853569 0.311860 1.264679
H -6.565426 2.311035 -0.138259
H -6.813788 1.240235 -1.534079
H -4.080414 1.590154 0.010151
H -4.325962 0.514926 -1.418333
H -9.006806 1.713986 -0.377374
H -8.361988 1.053724 1.152777
H -8.611650 -0.023887 -0.249046
H -1.846670 -2.120299 1.263181
H -2.140793 1.377610 -1.306953
H 0.658758 -2.166334 0.882684
H 0.308482 1.314612 -1.682825
H 6.609696 0.823743 -1.123616
H 6.394850 -0.728529 -0.308357
H 2.378170 1.629288 -0.547368
H 6.998983 0.361642 1.937654
H 8.331780 0.471892 0.745489
H 7.311374 1.899495 1.092174


