%chk=000219631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219631

0 1
O -1.272565 -0.534165 0.455138
O 2.553578 0.582822 2.345332
N 0.021679 -0.714017 0.896220
C 0.471682 1.674501 0.253951
C 0.788015 0.327877 0.777914
C 3.147861 -0.588501 0.362646
C 2.219670 0.132810 1.273558
C -3.379244 -1.510650 0.139113
C -2.030203 -1.776415 0.742049
C -0.314787 1.808090 -0.901610
C 0.949893 2.818323 0.913117
C 2.832320 -0.830186 -0.982538
C 4.378847 -1.025099 0.882110
C -3.948522 -0.231471 0.218359
C -4.078338 -2.552194 -0.488514
C -0.604037 3.079766 -1.402249
C 0.651400 4.086037 0.409148
C -0.120646 4.218740 -0.750051
C 3.741725 -1.506093 -1.800225
C 5.282340 -1.704171 0.062623
C -5.212764 0.003431 -0.328574
C -5.346011 -2.312352 -1.025428
C 4.963631 -1.944481 -1.278464
C -5.913976 -1.036220 -0.947604
H -2.078345 -1.905202 1.839114
H -1.499692 -2.631042 0.288726
H -0.709985 0.919415 -1.396403
H 1.546461 2.714072 1.823731
H 1.881061 -0.489876 -1.395827
H 4.618756 -0.825270 1.930377
H -3.394899 0.576439 0.700459
H -3.639901 -3.545810 -0.558119
H -1.211487 3.182599 -2.300080
H 1.021113 4.972811 0.922255
H -0.347984 5.208580 -1.142115
H 3.497539 -1.692083 -2.844993
H 6.234288 -2.044592 0.467333
H -5.652198 0.998076 -0.269338
H -5.891623 -3.121745 -1.507942
H 5.669469 -2.473823 -1.918556
H -6.900621 -0.852928 -1.368943


%chk=000219631-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219631

0 1
O -1.135277 -0.361167 -0.046238
O 2.779279 1.133449 1.865678
N 0.264376 -0.486765 0.322875
C 0.461074 2.046303 0.061524
C 0.923662 0.666752 0.380660
C 3.177088 -0.669202 0.321722
C 2.334911 0.418559 0.915646
C -3.245917 -1.549842 -0.123944
C -1.760671 -1.713405 0.104042
C -0.582875 2.267247 -0.888664
C 1.087037 3.184090 0.653785
C 2.898645 -1.268468 -0.936625
C 4.341448 -1.064926 1.037607
C -3.994658 -0.637998 0.664666
C -3.911483 -2.316220 -1.111431
C -0.971749 3.576565 -1.236983
C 0.681273 4.489512 0.308527
C -0.346860 4.695384 -0.639747
C 3.768992 -2.245747 -1.464799
C 5.201091 -2.049220 0.514641
C -5.385422 -0.500396 0.469496
C -5.307054 -2.187329 -1.300926
C 4.917084 -2.642502 -0.740223
C -6.046787 -1.278130 -0.511216
H -1.527975 -2.070441 1.124461
H -1.302342 -2.402399 -0.628432
H -1.085360 1.414868 -1.348535
H 1.873258 3.033090 1.397240
H 2.012254 -0.965124 -1.500032
H 4.547792 -0.582819 1.998827
H -3.480356 -0.030760 1.418102
H -3.339490 -3.015754 -1.733390
H -1.771008 3.722037 -1.972325
H 1.169684 5.347244 0.784163
H -0.658453 5.711353 -0.907358
H 3.553886 -2.697849 -2.439130
H 6.090378 -2.354847 1.076492
H -5.954265 0.209374 1.080388
H -5.812263 -2.789138 -2.064530
H 5.588064 -3.405420 -1.151104
H -7.127512 -1.173954 -0.659209


