%chk=000271422.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271422

0 1
O -2.097870 0.532344 1.343582
O 1.728592 -3.031454 -0.213675
O 0.498307 -2.831968 1.683218
N 0.169974 -0.063383 1.159003
N -1.354569 0.045003 -0.812100
C 1.242270 -0.819992 0.466836
C 2.620243 -0.355830 0.980033
C 3.069766 0.901019 0.282482
C 1.079596 -2.324305 0.754045
C -1.032748 0.106290 0.479591
C 4.051622 0.834581 -0.717109
C 2.514572 2.141003 0.632011
C -3.157327 0.764154 0.452928
C -2.709978 0.466927 -0.876110
C 4.478469 2.002551 -1.355464
C 2.944072 3.304634 -0.010920
C 3.927774 3.238541 -1.003210
C -4.437491 1.202753 0.752839
C -3.591062 0.618285 -1.947168
C 1.654078 -4.497628 -0.171725
C -5.299507 1.344542 -0.340931
C -4.885232 1.059550 -1.655054
C 0.299536 -4.951676 -0.667833
H 1.174114 -0.647573 -0.650412
H 3.360809 -1.170937 0.819572
H 2.599838 -0.193793 2.078967
H 0.074597 -0.266034 2.164222
H 4.481007 -0.123835 -1.002038
H 1.737566 2.194110 1.394053
H 5.240573 1.947742 -2.131089
H 2.508120 4.265088 0.259930
H -4.747342 1.420577 1.770326
H -3.272014 0.400174 -2.964272
H 4.260702 4.146294 -1.502115
H 2.483277 -4.759960 -0.854354
H 1.867313 -4.828124 0.859819
H -6.320372 1.685689 -0.169403
H -5.597291 1.188110 -2.470456
H 0.268516 -6.037382 -0.818348
H -0.497219 -4.694911 0.047153
H 0.037719 -4.474575 -1.622625


%chk=000271422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271422

0 1
O -2.007297 0.479162 1.258611
O 1.989303 -3.586945 -0.025120
O 0.730454 -3.270664 1.918008
N -0.001277 -0.755042 1.082594
N -1.038074 0.280560 -0.860964
C 1.108336 -1.385486 0.366528
C 2.485504 -0.661567 0.603501
C 2.501568 0.759948 0.069127
C 1.221722 -2.836372 0.847981
C -0.952552 -0.027745 0.428635
C 2.849470 1.014073 -1.282037
C 2.152079 1.854607 0.899349
C -2.826196 1.185327 0.328770
C -2.224517 1.060805 -0.957581
C 2.847152 2.329893 -1.793493
C 2.146588 3.173088 0.391288
C 2.494337 3.414765 -0.957416
C -4.007242 1.884807 0.580316
C -2.836111 1.675472 -2.068082
C 2.222836 -5.025232 0.339791
C -4.612580 2.498584 -0.548083
C -4.035971 2.393785 -1.842383
C 1.073059 -5.899408 -0.164757
H 0.882505 -1.367673 -0.713769
H 3.261020 -1.272644 0.105894
H 2.692212 -0.672410 1.690541
H -0.192315 -1.071042 2.036558
H 3.121212 0.176309 -1.936789
H 1.880931 1.671804 1.946245
H 3.118676 2.510068 -2.839815
H 1.871523 4.008746 1.044692
H -4.440322 1.957822 1.581453
H -2.392653 1.596826 -3.064677
H 2.490403 4.436768 -1.352762
H 3.176998 -5.261650 -0.156817
H 2.332780 -5.092012 1.436287
H -5.541216 3.063384 -0.414484
H -4.533401 2.882348 -2.687449
H 1.301501 -6.962580 0.035667
H 0.131474 -5.647534 0.350842
H 0.931080 -5.776345 -1.252003


