%chk=000195779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195779

0 1
O 2.060307 0.058661 1.304439
O 4.171371 -0.600839 -1.567888
O 3.601305 2.296618 -1.272803
O -0.354310 -3.175081 0.383317
O -1.284621 2.986598 0.244397
N -0.016040 -0.883222 0.473401
N -2.179880 -1.796281 -0.093085
N -3.977303 -0.377931 -0.538639
C 2.855616 -0.416058 -0.930735
C 1.408383 -1.179029 0.855976
C 2.241546 -1.701654 -0.336614
C 3.107177 0.452080 0.318349
C 3.069862 1.973474 0.059648
C -0.507178 0.398640 0.388166
C -0.866559 -2.041114 0.254600
C -1.824358 0.639896 0.048402
C -2.648072 -0.532563 -0.197163
C -2.366863 2.049346 -0.041536
C -4.861993 -1.519395 -0.806632
C -1.718038 4.380509 0.163372
H 2.162635 0.090826 -1.630119
H 1.370031 -1.894653 1.691702
H 1.625814 -2.289158 -1.033394
H 3.056329 -2.343189 0.043896
H 4.092922 0.153453 0.729926
H 3.638091 2.508222 0.846753
H 2.030806 2.343023 0.064548
H 0.177649 1.211272 0.626389
H 4.053960 -1.036257 -2.448735
H 4.376772 1.704234 -1.463229
H -3.199994 2.198663 0.688068
H -2.776221 2.249736 -1.062975
H -4.338666 0.562628 -0.687239
H -5.911651 -1.207123 -0.672122
H -4.619570 -2.335391 -0.108417
H -4.725938 -1.912574 -1.832441
H -2.085069 4.633003 -0.853861
H -0.830846 4.990175 0.392404
H -2.517505 4.600556 0.901974


%chk=000195779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195779

0 1
O 2.038684 0.074319 1.301226
O 4.068617 -0.466287 -1.682856
O 4.322532 2.316442 -0.691748
O -0.335325 -3.201046 0.364910
O -1.275122 2.974434 0.061126
N -0.021080 -0.886327 0.465748
N -2.186931 -1.811503 -0.075884
N -3.996924 -0.396535 -0.520435
C 2.809042 -0.360686 -0.929360
C 1.404213 -1.170751 0.845623
C 2.243291 -1.674687 -0.355046
C 3.115581 0.454970 0.344627
C 3.151025 1.972218 0.123135
C -0.517325 0.393592 0.366019
C -0.865028 -2.053546 0.248492
C -1.837577 0.625413 0.027650
C -2.663239 -0.552315 -0.190059
C -2.381936 2.033034 -0.082799
C -4.908663 -1.524400 -0.749179
C -1.720662 4.367007 0.036515
H 2.045930 0.159830 -1.546027
H 1.374818 -1.896794 1.672587
H 1.634413 -2.270693 -1.050635
H 3.075911 -2.298481 0.016681
H 4.093816 0.121066 0.745472
H 3.268143 2.506553 1.080077
H 2.209559 2.310552 -0.361803
H 0.167364 1.212666 0.586208
H 3.920448 -0.974468 -2.519044
H 4.489921 1.577727 -1.340200
H -3.146187 2.225662 0.709538
H -2.879962 2.186278 -1.072255
H -4.366316 0.548847 -0.610144
H -5.738875 -1.521021 -0.018096
H -4.323333 -2.448023 -0.623749
H -5.329349 -1.494853 -1.771662
H -2.212132 4.619699 -0.926791
H -0.814111 4.979603 0.155441
H -2.423328 4.582605 0.868793


