%chk=000203209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203209

0 1
O -2.149550 2.332325 1.465142
O 4.279301 1.273802 -0.301620
O 1.856952 -1.672930 -1.881701
O 4.335076 -0.831810 -1.115369
N -4.713128 0.568485 -0.262913
N -1.968581 0.433280 0.155895
C -5.890358 -0.343632 -0.045031
C -4.196127 1.177625 0.989480
C -6.773410 -0.334888 -1.298196
C -5.353364 -1.751536 0.243549
C -2.682151 1.403003 0.894285
C -0.565037 0.394088 -0.050063
C -0.066304 -0.633626 -0.874479
C 2.222524 0.196464 -0.487471
C 0.316386 1.323356 0.543988
C 1.319076 -0.713034 -1.080843
C 1.680888 1.217799 0.320807
C 3.672479 0.085457 -0.691259
C 5.734956 1.345607 -0.379434
C 6.350795 0.627662 0.804815
H -6.509148 -0.006983 0.829413
H -4.936918 1.307222 -0.938508
H -4.378504 0.514731 1.868726
H -4.668011 2.155444 1.243389
H -6.207093 -0.609092 -2.197864
H -7.591431 -1.059725 -1.205376
H -7.229316 0.644516 -1.478085
H -4.707355 -1.766620 1.128138
H -4.757058 -2.130999 -0.595397
H -6.170563 -2.460013 0.415380
H -2.531095 -0.276040 -0.343702
H -0.729612 -1.349482 -1.344470
H -0.077315 2.126902 1.176422
H 2.368578 1.939664 0.779216
H 6.058746 0.920604 -1.346666
H 5.891943 2.439054 -0.356717
H 1.171812 -2.282457 -2.262239
H 6.178880 -0.457696 0.738685
H 5.914223 0.966368 1.752461
H 7.433215 0.788300 0.854311


%chk=000203209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203209

0 1
O -2.461897 2.383223 1.866616
O 4.155547 1.047915 0.148800
O 1.458649 -0.875784 -2.593404
O 4.023531 -0.343957 -1.720110
N -4.841203 0.658952 -0.399665
N -2.229199 1.025096 -0.064348
C -5.482667 -0.618295 0.051252
C -4.468092 1.622349 0.665392
C -6.039549 -1.352758 -1.183963
C -4.477654 -1.497604 0.823388
C -2.939533 1.716385 0.902068
C -0.835140 0.879034 -0.218503
C -0.369313 0.092209 -1.301898
C 1.974104 0.500829 -0.647634
C 0.105567 1.485434 0.660654
C 1.013801 -0.099162 -1.520295
C 1.474357 1.285554 0.429943
C 3.438314 0.325984 -0.836011
C 5.639056 0.933854 0.084283
C 6.126247 -0.303159 0.846375
H -6.334315 -0.388256 0.736247
H -5.402556 1.100985 -1.138563
H -4.933947 1.374859 1.639934
H -4.807557 2.643498 0.407627
H -5.224197 -1.595306 -1.890084
H -6.528843 -2.295472 -0.883330
H -6.790578 -0.738725 -1.717457
H -4.043116 -0.965880 1.688596
H -3.648477 -1.814671 0.164626
H -4.983509 -2.402755 1.205171
H -2.890416 0.551427 -0.715502
H -1.093557 -0.373753 -1.984780
H -0.251631 2.091115 1.494822
H 2.207412 1.745603 1.096561
H 5.945962 0.892912 -0.975868
H 5.993291 1.869442 0.547385
H 0.686373 -1.221570 -3.110070
H 5.771653 -1.225451 0.356712
H 5.765270 -0.289963 1.889530
H 7.232212 -0.322941 0.862203


