%chk=000273558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273558

0 1
O -3.487684 2.613550 0.121715
O 1.081094 2.297800 -0.345790
O -3.303619 1.368644 -1.757298
N -0.219854 -0.733282 0.202004
C -1.556862 -0.529698 -0.457315
C -2.256450 0.620668 0.337027
C 0.139443 0.501951 0.962570
C -1.132522 1.367603 1.076885
C -2.415579 -1.759368 -0.517620
C 1.258865 1.219636 0.165248
C 0.042051 -1.970294 0.848239
C -3.038911 1.521633 -0.589454
C -2.021523 -2.937919 -0.008572
C -0.747487 -3.056733 0.682494
C 2.579895 0.516481 0.147793
C 3.627631 1.014938 0.934329
C 2.775282 -0.606872 -0.663803
C -4.248477 3.606557 -0.618009
C 4.868919 0.373962 0.919237
C 4.022034 -1.240558 -0.678450
C 5.066128 -0.753433 0.113584
H -1.328378 -0.181808 -1.505545
H -2.974316 0.187453 1.079176
H 0.545381 0.268092 1.978127
H -0.962970 2.376246 0.635552
H -1.404375 1.545536 2.131022
H -3.374248 -1.618778 -1.012906
H 0.982942 -2.004684 1.407316
H -2.637855 -3.833508 -0.077377
H -0.460757 -4.031851 1.062520
H 3.478813 1.903597 1.546831
H 1.957745 -0.984659 -1.282576
H -4.644580 4.246360 0.177073
H -5.044954 3.122175 -1.192444
H -3.568027 4.150248 -1.281017
H 5.685357 0.756925 1.529473
H 4.178010 -2.112998 -1.311563
H 6.036237 -1.248816 0.100525


%chk=000273558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273558

0 1
O -3.313965 2.761297 0.469962
O 0.751409 1.816407 -0.436109
O -3.378262 1.618109 -1.555194
N -0.461667 -0.938242 0.308788
C -1.536968 -0.398987 -0.575125
C -2.305608 0.568254 0.403402
C 0.025201 0.152762 1.183208
C -1.228678 1.048255 1.431667
C -2.345908 -1.510777 -1.209952
C 1.109041 0.876126 0.341477
C -0.192008 -2.287413 0.469138
C -3.029995 1.668809 -0.352421
C -2.040070 -2.834555 -1.028154
C -0.921705 -3.255445 -0.188410
C 2.522663 0.379763 0.353445
C 3.425766 0.927945 -0.601304
C 3.010404 -0.579481 1.284094
C -4.042717 3.879250 -0.181037
C 4.774065 0.525780 -0.629028
C 4.364453 -0.976683 1.260535
C 5.249471 -0.428944 0.303476
H -1.086990 0.249818 -1.360229
H -3.079503 -0.023065 0.931318
H 0.433283 -0.260408 2.119728
H -0.982869 2.108220 1.268299
H -1.591823 0.926164 2.464577
H -3.174802 -1.188356 -1.848289
H 0.631654 -2.532506 1.147541
H -2.648639 -3.601372 -1.521882
H -0.673505 -4.310669 -0.057277
H 3.036944 1.668752 -1.307685
H 2.348398 -1.012388 2.041199
H -4.173730 4.627524 0.612961
H -5.015372 3.528676 -0.565321
H -3.447595 4.283276 -1.016748
H 5.456806 0.952266 -1.372018
H 4.729686 -1.712043 1.985749
H 6.299532 -0.741321 0.284620


