%chk=000189906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189906

0 1
O 0.498696 -1.200564 -0.314747
O 2.254636 -3.499058 -0.166866
O -2.110863 -1.961465 -0.051307
O 1.046407 1.711969 -0.125691
O -3.506854 2.685840 0.077841
O -5.193089 0.743972 0.109799
N 3.710394 -0.129968 0.296914
C 5.009554 0.487515 -0.135934
C 3.276142 -1.321694 -0.482988
C 2.486964 -2.239835 0.476614
C 5.211876 1.736104 0.748860
C 6.149158 -0.516263 0.111251
C 4.991605 0.910777 -1.621622
C 1.151578 -1.631530 0.930291
C -0.481036 -0.255393 -0.119716
C -1.839221 -0.600320 -0.052277
C -0.205953 1.130316 -0.093651
C -2.880654 0.355728 0.008714
C -1.212948 2.132215 -0.025277
C -2.568642 1.742398 0.020686
C -4.277431 -0.082242 0.057697
C -0.518014 3.402735 -0.019134
C -3.440897 -2.379155 -0.010090
C -4.481177 -1.523653 0.042220
C 0.811108 3.121052 -0.077731
C -3.448815 -3.857259 -0.031904
H 2.645104 -1.060794 -1.360458
H 4.149286 -1.891319 -0.871163
H 2.957814 0.573038 0.275259
H 3.103408 -2.524913 1.362948
H 4.460090 2.505793 0.555196
H 6.195153 2.184144 0.577491
H 5.149481 1.474423 1.812866
H 7.125787 -0.069805 -0.093943
H 6.051739 -1.408586 -0.516963
H 6.145721 -0.857614 1.154145
H 4.908324 0.048215 -2.289391
H 5.910939 1.438682 -1.893042
H 4.154094 1.578403 -1.843358
H 1.299970 -0.770807 1.601662
H 0.489509 -2.380894 1.394349
H 1.639845 -3.387667 -0.924395
H -1.006271 4.360966 0.025149
H -5.515469 -1.869764 0.074412
H 1.725778 3.669160 -0.098319
H -2.427384 -4.279942 -0.074721
H -3.994036 -4.246088 -0.908798
H -3.933734 -4.274363 0.866775
H -4.490870 2.266108 0.108045


%chk=000189906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189906

0 1
O 0.472283 -1.216073 -0.078496
O 2.132006 -3.520781 0.008549
O -2.203924 -1.986932 -0.130451
O 0.971094 1.713107 0.324678
O -3.665734 2.677932 0.320888
O -5.330859 0.775532 0.064992
N 3.801378 -0.121972 0.078037
C 5.101771 0.474515 -0.363532
C 3.387711 -1.429684 -0.470856
C 2.565771 -2.230688 0.571482
C 5.165167 1.886499 0.269858
C 6.274394 -0.379269 0.181130
C 5.208329 0.596520 -1.914196
C 1.362913 -1.452843 1.108922
C -0.538834 -0.266772 0.088724
C -1.906380 -0.615955 0.019154
C -0.300830 1.118662 0.241825
C -2.963097 0.349329 0.089544
C -1.304632 2.123266 0.329071
C -2.665844 1.743705 0.250662
C -4.357943 -0.087482 0.002116
C -0.613918 3.392362 0.474374
C -3.535572 -2.404595 -0.214580
C -4.584380 -1.514464 -0.154559
C 0.733112 3.116572 0.469670
C -3.627113 -3.892705 -0.371476
H 2.786493 -1.348772 -1.404431
H 4.277974 -2.035055 -0.711013
H 3.041583 0.569552 0.002863
H 3.216757 -2.489047 1.424611
H 4.330360 2.517921 -0.094717
H 6.110978 2.392744 0.006984
H 5.093330 1.815345 1.369688
H 7.242943 0.094646 -0.062784
H 6.282406 -1.394328 -0.256731
H 6.190729 -0.477833 1.277657
H 5.134211 -0.395652 -2.396635
H 6.174236 1.045590 -2.213425
H 4.394565 1.232341 -2.312095
H 1.678619 -0.491130 1.550419
H 0.796596 -2.053344 1.844437
H 1.399478 -3.326424 -0.632672
H -1.078232 4.370861 0.568068
H -5.612079 -1.875782 -0.223525
H 1.630829 3.722487 0.553481
H -3.134217 -4.403133 0.475475
H -3.111672 -4.218400 -1.293043
H -4.678942 -4.213302 -0.418752
H -4.567012 2.151527 0.236311


