%chk=000201391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201391

0 1
O 2.388417 1.217985 -0.745396
O -4.105673 1.233059 -1.479922
O -2.134030 0.812455 2.688675
N -3.088883 1.373247 0.625908
N 6.328728 -2.647645 0.128606
C -1.542743 3.152246 -0.225017
C -2.776059 2.821877 0.628219
C -0.247598 2.597315 0.377424
C 0.981598 3.056800 -0.414582
C -3.703588 0.691825 -0.483627
C -2.680837 0.471396 1.672769
C -3.721035 -0.757268 -0.081626
C -3.111728 -0.888124 1.198144
C 2.269355 2.409351 0.091468
C -4.212143 -1.854557 -0.754167
C -2.989541 -2.116714 1.809173
C 3.412388 0.330762 -0.463082
C -4.087981 -3.118997 -0.129133
C -3.491825 -3.246829 1.119646
C 3.353138 -0.861014 -1.238352
C 4.429910 0.545991 0.465642
C 4.345432 -1.818697 -1.056265
C 5.380273 -1.610402 -0.113857
C 5.419798 -0.428202 0.640925
C 2.256880 -1.061087 -2.229690
H -1.682210 2.761250 -1.254157
H -1.473071 4.253042 -0.332841
H -2.622512 3.140467 1.686117
H -3.665354 3.367725 0.235017
H -0.157813 2.905267 1.437847
H -0.282609 1.488413 0.392069
H 0.856929 2.796581 -1.489929
H 1.077320 4.158401 -0.377896
H 2.221186 2.104021 1.149825
H 3.155813 3.041159 -0.086762
H -4.680357 -1.758618 -1.734501
H -2.521426 -2.221337 2.788913
H -4.469082 -4.001607 -0.645173
H -3.403429 -4.229966 1.584791
H 4.473007 1.455051 1.057978
H 4.315457 -2.741052 -1.631795
H 6.205967 -0.264983 1.372900
H 1.393531 -0.410011 -2.011795
H 2.595984 -0.808476 -3.244577
H 1.894688 -2.096205 -2.244023
H 6.479843 -3.275730 -0.649335
H 7.210784 -2.335464 0.512342


%chk=000201391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201391

0 1
O 2.164031 1.132379 -0.601407
O -4.022279 1.432996 -1.485892
O -2.065650 0.580947 2.714085
N -2.971126 1.348141 0.647900
N 6.476568 -2.485588 0.006876
C -1.551232 3.320322 -0.007500
C -2.740400 2.791784 0.829189
C -0.201382 2.662223 0.348466
C 0.965133 3.227626 -0.490208
C -3.584716 0.779687 -0.505381
C -2.601831 0.352410 1.601580
C -3.592101 -0.701798 -0.270875
C -3.002375 -0.957493 0.991006
C 2.304689 2.541146 -0.205794
C -4.070682 -1.743169 -1.079294
C -2.870443 -2.262864 1.486686
C 3.284251 0.286964 -0.416310
C -3.941270 -3.068732 -0.587788
C -3.350001 -3.324675 0.675423
C 3.086482 -1.075843 -0.783544
C 4.532168 0.715188 0.088856
C 4.160982 -1.975708 -0.634321
C 5.428581 -1.563358 -0.128354
C 5.597309 -0.201388 0.232342
C 1.741988 -1.527471 -1.317636
H -1.773948 3.173654 -1.081917
H -1.492431 4.415532 0.158160
H -2.555768 2.944916 1.907943
H -3.667416 3.321598 0.544556
H 0.010263 2.803662 1.428135
H -0.254931 1.570585 0.180421
H 0.735858 3.121882 -1.568771
H 1.085603 4.312358 -0.290018
H 2.561531 2.601658 0.873934
H 3.122112 3.012957 -0.791283
H -4.525257 -1.533261 -2.052554
H -2.412718 -2.447442 2.463543
H -4.302179 -3.908241 -1.191666
H -3.263015 -4.357943 1.028194
H 4.694026 1.758261 0.376605
H 4.011110 -3.025809 -0.917604
H 6.560630 0.145302 0.625924
H 0.940734 -1.351288 -0.575431
H 1.459432 -0.954215 -2.219715
H 1.754083 -2.601478 -1.571559
H 6.350410 -3.457832 -0.254981
H 7.380078 -2.195885 0.366879


